4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide

C20H18FN5O2 — CID 139468854

IUPAC4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1-c1cc2cc(NC(=O)[C@H]3C[C@H]3F)ncc2c(N)n1
InChIInChI=1S/C20H18FN5O2/c1-9-4-10(19(23)27)2-3-12(9)16-5-11-6-17(24-8-14(11)18(22)25-16)26-20(28)13-7-15(13)21/h2-6,8,13,15H,7H2,1H3,(H2,22,25)(H2,23,27)(H,24,26,28)/t13-,15+/m0/s1
InChIKeyVHSAZKGMMYDNLL-DZGCQCFKSA-N
MW379.40 g/mol
LogP2.58
Rot. Bonds4

About 4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide

4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide (PubChem CID 139468854) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide
PubChem CID139468854
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1-c1cc2cc(NC(=O)[C@H]3C[C@H]3F)ncc2c(N)n1
InChIInChI=1S/C20H18FN5O2/c1-9-4-10(19(23)27)2-3-12(9)16-5-11-6-17(24-8-14(11)18(22)25-16)26-20(28)13-7-15(13)21/h2-6,8,13,15H,7H2,1H3,(H2,22,25)(H2,23,27)(H,24,26,28)/t13-,15+/m0/s1
InChIKeyVHSAZKGMMYDNLL-DZGCQCFKSA-N
XLogP2.58
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344858
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
tert-butyl N-[5-[1-amino-6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]carbamate
CID 139468624
N-[8-amino-6-(1,5-dimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344388
cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 157062355
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-(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
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
4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide
CID 142447727
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide?
The IUPAC name of 4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide (CID 139468854) is 4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide.
What is the SMILES notation for 4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide?
The canonical SMILES for 4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1-c1cc2cc(NC(=O)[C@H]3C[C@H]3F)ncc2c(N)n1.
What is the InChIKey of 4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide?
The InChIKey is VHSAZKGMMYDNLL-DZGCQCFKSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-9-4-10(19(23)27)2-3-12(9)16-5-11-6-17(24-8-14(11)18(22)25-16)26-20(28)13-7-15(13)21/h2-6,8,13,15H,7H2,1H3,(H2,22,25)(H2,23,27)(H,24,26,28)/t13-,15+/m0/s1.
What are the key properties of 4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide?
4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide has a molecular weight of 379.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide is sourced from PubChem (CID 139468854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).