(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

C24H27N7O3 — CID 157092842

IUPAC(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
SMILESCC(=O)N1CC(C)(OC(=O)Nc2cc3cc(-c4cnc5c(c4C)NCCC5)nc(N)c3cn2)C1
InChIInChI=1S/C24H27N7O3/c1-13-16(9-27-18-5-4-6-26-21(13)18)19-7-15-8-20(28-10-17(15)22(25)29-19)30-23(33)34-24(3)11-31(12-24)14(2)32/h7-10,26H,4-6,11-12H2,1-3H3,(H2,25,29)(H,28,30,33)
InChIKeyCXKMCCIZWPLVLQ-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.11
Rot. Bonds3

About (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

(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 (PubChem CID 157092842) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157092842
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name(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
SMILESCC(=O)N1CC(C)(OC(=O)Nc2cc3cc(-c4cnc5c(c4C)NCCC5)nc(N)c3cn2)C1
InChIInChI=1S/C24H27N7O3/c1-13-16(9-27-18-5-4-6-26-21(13)18)19-7-15-8-20(28-10-17(15)22(25)29-19)30-23(33)34-24(3)11-31(12-24)14(2)32/h7-10,26H,4-6,11-12H2,1-3H3,(H2,25,29)(H,28,30,33)
InChIKeyCXKMCCIZWPLVLQ-UHFFFAOYSA-N
XLogP3.11
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate
CID 140921116
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
[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
(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
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
(3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate
CID 157241389
(1-oxothian-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 146499298
(1,1-dioxothian-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 146463858
1-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea
CID 146465008
3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine
CID 146499241
1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea
CID 135344907

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(=O)N1CC(C)(OC(=O)Nc2cc3cc(-c4cnc5c(c4C)NCCC5)nc(N)c3cn2)C1.
What is the InChIKey of (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?
The InChIKey is CXKMCCIZWPLVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-13-16(9-27-18-5-4-6-26-21(13)18)19-7-15-8-20(28-10-17(15)22(25)29-19)30-23(33)34-24(3)11-31(12-24)14(2)32/h7-10,26H,4-6,11-12H2,1-3H3,(H2,25,29)(H,28,30,33).
What are the key properties of (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?
(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 has a molecular weight of 461.53 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157092842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).