N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane

C23H27N5O2 — CID 170968349

IUPACN-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane
SMILESC1CC1.CCC(O)c1cc(C)c(-c2cc3cnc(NC=O)cc3c(/C=C\N)n2)cn1
InChIInChI=1S/C20H21N5O2.C3H6/c1-3-19(27)18-6-12(2)15(10-22-18)17-7-13-9-23-20(24-11-26)8-14(13)16(25-17)4-5-21;1-2-3-1/h4-11,19,27H,3,21H2,1-2H3,(H,23,24,26);1-3H2/b5-4-;
InChIKeyGKYXICMUJNONOK-MKWAYWHRSA-N
MW405.50 g/mol
LogP4.11
Rot. Bonds6

About N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane

N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane (PubChem CID 170968349) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane.

Molecular Properties

Compound NameN-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane
PubChem CID170968349
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane
SMILESC1CC1.CCC(O)c1cc(C)c(-c2cc3cnc(NC=O)cc3c(/C=C\N)n2)cn1
InChIInChI=1S/C20H21N5O2.C3H6/c1-3-19(27)18-6-12(2)15(10-22-18)17-7-13-9-23-20(24-11-26)8-14(13)16(25-17)4-5-21;1-2-3-1/h4-11,19,27H,3,21H2,1-2H3,(H,23,24,26);1-3H2/b5-4-;
InChIKeyGKYXICMUJNONOK-MKWAYWHRSA-N
XLogP4.11
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide
CID 167188310
N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 170967852
N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555163
N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171556220
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667
(1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 171555408
cis-(1R,2R)-2-fluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,3]oxazolo[4,5-f]isoquinolin-8-yl]cyclopropane-1-carboxamide
CID 170967764
(1R)-N-[2-ethyl-4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 174205511
7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one
CID 167189107
1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol
CID 170968016
1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol
CID 171555917
N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 170968332

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane?
The IUPAC name of N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane (CID 170968349) is N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane.
What is the SMILES notation for N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane?
The canonical SMILES for N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane is C1CC1.CCC(O)c1cc(C)c(-c2cc3cnc(NC=O)cc3c(/C=C\N)n2)cn1.
What is the InChIKey of N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane?
The InChIKey is GKYXICMUJNONOK-MKWAYWHRSA-N. The full InChI is InChI=1S/C20H21N5O2.C3H6/c1-3-19(27)18-6-12(2)15(10-22-18)17-7-13-9-23-20(24-11-26)8-14(13)16(25-17)4-5-21;1-2-3-1/h4-11,19,27H,3,21H2,1-2H3,(H,23,24,26);1-3H2/b5-4-;.
What are the key properties of N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane?
N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane has a molecular weight of 405.50 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane is sourced from PubChem (CID 170968349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).