4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide

C20H18FN5O2 — CID 142447727

IUPAC4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide
SMILESCc1cc(C(N)=O)cc(F)c1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)n1
InChIInChI=1S/C20H18FN5O2/c1-9-4-12(19(23)27)5-14(21)17(9)15-6-11-7-16(26-20(28)10-2-3-10)24-8-13(11)18(22)25-15/h4-8,10H,2-3H2,1H3,(H2,22,25)(H2,23,27)(H,24,26,28)
InChIKeyHMEICPFYSCEKBC-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.77
Rot. Bonds4

About 4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide

4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide (PubChem CID 142447727) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound Name4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide
PubChem CID142447727
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide
SMILESCc1cc(C(N)=O)cc(F)c1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)n1
InChIInChI=1S/C20H18FN5O2/c1-9-4-12(19(23)27)5-14(21)17(9)15-6-11-7-16(26-20(28)10-2-3-10)24-8-13(11)18(22)25-15/h4-8,10H,2-3H2,1H3,(H2,22,25)(H2,23,27)(H,24,26,28)
InChIKeyHMEICPFYSCEKBC-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide
CID 139468854
N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 142447326
cis-(1S,2R)-N-[8-amino-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135345456
N-(8-amino-6-pyridin-3-yl-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 142447490
(1S,2R,3S)-N-[8-amino-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344646
N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 135344454
N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole
CID 142447804
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
2-[[8-amino-6-[4-(1-aminoethenyl)-2-fluoro-6-methylphenyl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 159846757
N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 135344881
trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 139468711
N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 142447902

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide?
The IUPAC name of 4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide (CID 142447727) is 4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide.
What is the SMILES notation for 4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide?
The canonical SMILES for 4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide is Cc1cc(C(N)=O)cc(F)c1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)n1.
What is the InChIKey of 4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide?
The InChIKey is HMEICPFYSCEKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-9-4-12(19(23)27)5-14(21)17(9)15-6-11-7-16(26-20(28)10-2-3-10)24-8-13(11)18(22)25-15/h4-8,10H,2-3H2,1H3,(H2,22,25)(H2,23,27)(H,24,26,28).
What are the key properties of 4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide?
4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide has a molecular weight of 379.40 g/mol, XLogP of 2.77, 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-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 142447727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).