1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea

C18H20N6O2 — CID 135349081

IUPAC1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea
SMILESCc1ccncc1-c1cc2cc(NC(=O)NC[C@H](C)O)ncc2c(N)n1
InChIInChI=1S/C18H20N6O2/c1-10-3-4-20-8-13(10)15-5-12-6-16(21-9-14(12)17(19)23-15)24-18(26)22-7-11(2)25/h3-6,8-9,11,25H,7H2,1-2H3,(H2,19,23)(H2,21,22,24,26)/t11-/m0/s1
InChIKeyPNBGCRRVKFUCDW-NSHDSACASA-N
MW352.40 g/mol
LogP2.08
Rot. Bonds4

About 1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea

1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea (PubChem CID 135349081) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea
PubChem CID135349081
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea
SMILESCc1ccncc1-c1cc2cc(NC(=O)NC[C@H](C)O)ncc2c(N)n1
InChIInChI=1S/C18H20N6O2/c1-10-3-4-20-8-13(10)15-5-12-6-16(21-9-14(12)17(19)23-15)24-18(26)22-7-11(2)25/h3-6,8-9,11,25H,7H2,1-2H3,(H2,19,23)(H2,21,22,24,26)/t11-/m0/s1
InChIKeyPNBGCRRVKFUCDW-NSHDSACASA-N
XLogP2.08
TPSA126.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea with MolForge

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Launch Full Analysis

Related Compounds

(E)-N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-(cyanomethyl)but-2-enediamide
CID 155478679
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 135344663
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 135345211
cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
CID 139469052
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667
[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate
CID 140921107
(Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide
CID 155477820
[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate
CID 135344703
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide
CID 155477902
(E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide
CID 155477816
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
CID 135345062
N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide
CID 155477709

Frequently Asked Questions

What is the IUPAC name of 1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea?
The IUPAC name of 1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea (CID 135349081) is 1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea is Cc1ccncc1-c1cc2cc(NC(=O)NC[C@H](C)O)ncc2c(N)n1.
What is the InChIKey of 1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea?
The InChIKey is PNBGCRRVKFUCDW-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N6O2/c1-10-3-4-20-8-13(10)15-5-12-6-16(21-9-14(12)17(19)23-15)24-18(26)22-7-11(2)25/h3-6,8-9,11,25H,7H2,1-2H3,(H2,19,23)(H2,21,22,24,26)/t11-/m0/s1.
What are the key properties of 1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea?
1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea has a molecular weight of 352.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea is sourced from PubChem (CID 135349081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).