cis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

C18H20N6O — CID 163936268

IUPACcis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESCCn1nccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C)ncc2c(N)n1
InChIInChI=1S/C18H20N6O/c1-3-24-15(4-5-21-24)14-7-11-8-16(20-9-13(11)17(19)22-14)23-18(25)12-6-10(12)2/h4-5,7-10,12H,3,6H2,1-2H3,(H2,19,22)(H,20,23,25)/t10-,12+/m0/s1
InChIKeyRNBYHDIRMIQPFZ-CMPLNLGQSA-N
MW336.40 g/mol
LogP2.69
Rot. Bonds4

About cis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 163936268) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is cis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID163936268
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Namecis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESCCn1nccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C)ncc2c(N)n1
InChIInChI=1S/C18H20N6O/c1-3-24-15(4-5-21-24)14-7-11-8-16(20-9-13(11)17(19)22-14)23-18(25)12-6-10(12)2/h4-5,7-10,12H,3,6H2,1-2H3,(H2,19,22)(H,20,23,25)/t10-,12+/m0/s1
InChIKeyRNBYHDIRMIQPFZ-CMPLNLGQSA-N
XLogP2.69
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 139469104
cis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide
CID 139468919
cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 152996015
trans-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344959
trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 157256552
N-[8-amino-6-(1,5-dimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344388
N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158576696
N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 135344454
trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 139469060
cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 139469137
trans-(1R,2R)-N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 159778719
trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344559

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (CID 163936268) is cis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is CCn1nccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C)ncc2c(N)n1.
What is the InChIKey of cis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is RNBYHDIRMIQPFZ-CMPLNLGQSA-N. The full InChI is InChI=1S/C18H20N6O/c1-3-24-15(4-5-21-24)14-7-11-8-16(20-9-13(11)17(19)22-14)23-18(25)12-6-10(12)2/h4-5,7-10,12H,3,6H2,1-2H3,(H2,19,22)(H,20,23,25)/t10-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 163936268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).