N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide

C22H19N5O2 — CID 71476191

IUPACN-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide
SMILESNc1cnccc1NC(=O)c1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H19N5O2/c23-17-13-24-10-9-19(17)27-21(28)15-7-5-14(6-8-15)12-25-22(29)20-11-16-3-1-2-4-18(16)26-20/h1-11,13,26H,12,23H2,(H,25,29)(H,24,27,28)
InChIKeyRWIJRADKLYXBIL-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.33
Rot. Bonds5

About N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide

N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 71476191) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID71476191
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide
SMILESNc1cnccc1NC(=O)c1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H19N5O2/c23-17-13-24-10-9-19(17)27-21(28)15-7-5-14(6-8-15)12-25-22(29)20-11-16-3-1-2-4-18(16)26-20/h1-11,13,26H,12,23H2,(H,25,29)(H,24,27,28)
InChIKeyRWIJRADKLYXBIL-UHFFFAOYSA-N
XLogP3.33
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594972
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 22668169
N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
CID 123309364
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 29135128
N-(3-amino-4-pyridinyl)-4-ethylbenzamide
CID 63062261
N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 163196273
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509
[4-[(1H-indole-2-carbonylamino)methyl]phenyl]boronic acid
CID 140927918
N-(3-amino-4-pyridinyl)-4-[[(4-nitrophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594969
N-(3-amino-4-pyridinyl)-4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]methyl]benzamide
CID 44594108
N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide (CID 71476191) is N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide is Nc1cnccc1NC(=O)c1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is RWIJRADKLYXBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c23-17-13-24-10-9-19(17)27-21(28)15-7-5-14(6-8-15)12-25-22(29)20-11-16-3-1-2-4-18(16)26-20/h1-11,13,26H,12,23H2,(H,25,29)(H,24,27,28).
What are the key properties of N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide?
N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71476191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).