trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide

C25H29N7O2 — CID 159056001

IUPACtrans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESCC(=O)NCC[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnc4c(c3C)NCCC4)nc(N)c2cn1
InChIInChI=1S/C25H29N7O2/c1-13-18(11-29-20-4-3-6-28-23(13)20)21-9-16-10-22(30-12-19(16)24(26)31-21)32-25(34)17-8-15(17)5-7-27-14(2)33/h9-12,15,17,28H,3-8H2,1-2H3,(H2,26,31)(H,27,33)(H,30,32,34)/t15-,17+/m1/s1
InChIKeyOFAVOZOKEWESST-WBVHZDCISA-N
MW459.55 g/mol
LogP3.04
Rot. Bonds6

About trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 159056001) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
PubChem CID159056001
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Nametrans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESCC(=O)NCC[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnc4c(c3C)NCCC4)nc(N)c2cn1
InChIInChI=1S/C25H29N7O2/c1-13-18(11-29-20-4-3-6-28-23(13)20)21-9-16-10-22(30-12-19(16)24(26)31-21)32-25(34)17-8-15(17)5-7-27-14(2)33/h9-12,15,17,28H,3-8H2,1-2H3,(H2,26,31)(H,27,33)(H,30,32,34)/t15-,17+/m1/s1
InChIKeyOFAVOZOKEWESST-WBVHZDCISA-N
XLogP3.04
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

(1-acetyl-3-methylazetidin-3-yl) N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]carbamate
CID 157092842
[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate
CID 140921107
[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamic acid
CID 135345113
2-[[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 135345127
cis-(1R,2R)-N-[8-amino-6-(7-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 139468629
(3-hydroxycyclobutyl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate
CID 146488295
cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-oxo-1H-pyridin-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 139468861
N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344747
cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 157171811
piperidin-4-yl N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate
CID 146488817
cis-(1S,2S)-N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135345077
3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine
CID 146499241

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (CID 159056001) is trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is CC(=O)NCC[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnc4c(c3C)NCCC4)nc(N)c2cn1.
What is the InChIKey of trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is OFAVOZOKEWESST-WBVHZDCISA-N. The full InChI is InChI=1S/C25H29N7O2/c1-13-18(11-29-20-4-3-6-28-23(13)20)21-9-16-10-22(30-12-19(16)24(26)31-21)32-25(34)17-8-15(17)5-7-27-14(2)33/h9-12,15,17,28H,3-8H2,1-2H3,(H2,26,31)(H,27,33)(H,30,32,34)/t15-,17+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.04, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 159056001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).