N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide

C21H17FN4O — CID 151951735

IUPACN-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide
SMILESNc1ccnc(CNC(=O)c2cc3ccc(-c4ccc(F)cc4)cc3[nH]2)c1
InChIInChI=1S/C21H17FN4O/c22-16-5-3-13(4-6-16)14-1-2-15-10-20(26-19(15)9-14)21(27)25-12-18-11-17(23)7-8-24-18/h1-11,26H,12H2,(H2,23,24)(H,25,27)
InChIKeyTWUKFNZYUFZWGD-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.88
Rot. Bonds4

About N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide

N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide (PubChem CID 151951735) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide
PubChem CID151951735
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC NameN-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide
SMILESNc1ccnc(CNC(=O)c2cc3ccc(-c4ccc(F)cc4)cc3[nH]2)c1
InChIInChI=1S/C21H17FN4O/c22-16-5-3-13(4-6-16)14-1-2-15-10-20(26-19(15)9-14)21(27)25-12-18-11-17(23)7-8-24-18/h1-11,26H,12H2,(H2,23,24)(H,25,27)
InChIKeyTWUKFNZYUFZWGD-UHFFFAOYSA-N
XLogP3.88
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 135324109
N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 135324352
6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 57403071
[(3S)-3-chloro-4-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]butyl]azanium
CID 156664162
N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 135324289
6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide
CID 135324738
[(2S)-5-azaniumyl-5-cyclopropyl-1-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]pentan-2-yl]azanium dichloride
CID 135324301
6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride
CID 135324452
1-[(4-amino-2-pyridinyl)methyl]-3-methylurea
CID 154843666
6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 117077677
[(3S,5S)-1-benzyl-5-[[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]methyl]pyrrolidin-3-yl] carbamate
CID 174992929
N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide
CID 59437298

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide (CID 151951735) is N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide is Nc1ccnc(CNC(=O)c2cc3ccc(-c4ccc(F)cc4)cc3[nH]2)c1.
What is the InChIKey of N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide?
The InChIKey is TWUKFNZYUFZWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c22-16-5-3-13(4-6-16)14-1-2-15-10-20(26-19(15)9-14)21(27)25-12-18-11-17(23)7-8-24-18/h1-11,26H,12H2,(H2,23,24)(H,25,27).
What are the key properties of N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide?
N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 151951735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).