N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C19H18FN5O2 — CID 135344858

IUPACN-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cnc(CO)cc1-c1cc2cc(NC(=O)C3CC3F)ncc2c(N)n1
InChIInChI=1S/C19H18FN5O2/c1-9-6-22-11(8-26)4-12(9)16-2-10-3-17(23-7-14(10)18(21)24-16)25-19(27)13-5-15(13)20/h2-4,6-7,13,15,26H,5,8H2,1H3,(H2,21,24)(H,23,25,27)
InChIKeyQNIGJCAWKMPIGT-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.37
Rot. Bonds4

About N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135344858) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135344858
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC NameN-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cnc(CO)cc1-c1cc2cc(NC(=O)C3CC3F)ncc2c(N)n1
InChIInChI=1S/C19H18FN5O2/c1-9-6-22-11(8-26)4-12(9)16-2-10-3-17(23-7-14(10)18(21)24-16)25-19(27)13-5-15(13)20/h2-4,6-7,13,15,26H,5,8H2,1H3,(H2,21,24)(H,23,25,27)
InChIKeyQNIGJCAWKMPIGT-UHFFFAOYSA-N
XLogP2.37
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-oxo-1H-pyridin-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 139468861
4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide
CID 139468854
N-[8-amino-6-(1,5-dimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344388
cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 157171811
tert-butyl N-[5-[1-amino-6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]carbamate
CID 139468624
cis-(1R,2R)-N-[8-amino-6-(7-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 139468629
N-[8-amino-6-[6-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344394
cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 157062355
cis-(1S,2S)-N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135345077
cis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 157087110
cis-(1R,2R)-N-[8-amino-6-(3-oxo-4H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 159539091
cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
CID 139469052

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 135344858) is N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is Cc1cnc(CO)cc1-c1cc2cc(NC(=O)C3CC3F)ncc2c(N)n1.
What is the InChIKey of N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is QNIGJCAWKMPIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-9-6-22-11(8-26)4-12(9)16-2-10-3-17(23-7-14(10)18(21)24-16)25-19(27)13-5-15(13)20/h2-4,6-7,13,15,26H,5,8H2,1H3,(H2,21,24)(H,23,25,27).
What are the key properties of N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135344858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).