cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide

C19H19N5O2 — CID 139468683

IUPACcis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3CO)ncc2c(N)n1
InChIInChI=1S/C19H19N5O2/c1-10-2-3-21-7-14(10)16-5-11-6-17(22-8-15(11)18(20)23-16)24-19(26)13-4-12(13)9-25/h2-3,5-8,12-13,25H,4,9H2,1H3,(H2,20,23)(H,22,24,26)/t12-,13+/m1/s1
InChIKeyCQKYLFONKVGELW-OLZOCXBDSA-N
MW349.39 g/mol
LogP2.15
Rot. Bonds4

About cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide

cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 139468683) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID139468683
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Namecis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3CO)ncc2c(N)n1
InChIInChI=1S/C19H19N5O2/c1-10-2-3-21-7-14(10)16-5-11-6-17(22-8-15(11)18(20)23-16)24-19(26)13-4-12(13)9-25/h2-3,5-8,12-13,25H,4,9H2,1H3,(H2,20,23)(H,22,24,26)/t12-,13+/m1/s1
InChIKeyCQKYLFONKVGELW-OLZOCXBDSA-N
XLogP2.15
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide (CID 139468683) is cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide is Cc1ccncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3CO)ncc2c(N)n1.
What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is CQKYLFONKVGELW-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-10-2-3-21-7-14(10)16-5-11-6-17(22-8-15(11)18(20)23-16)24-19(26)13-4-12(13)9-25/h2-3,5-8,12-13,25H,4,9H2,1H3,(H2,20,23)(H,22,24,26)/t12-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide?
cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 139468683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).