N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide

C24H22N4O2 — CID 123309364

IUPACN-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
SMILESNc1cnccc1NC(=O)c1ccc(CNC(=O)C2=Cc3ccccc3CC2)cc1
InChIInChI=1S/C24H22N4O2/c25-21-15-26-12-11-22(21)28-24(30)18-7-5-16(6-8-18)14-27-23(29)20-10-9-17-3-1-2-4-19(17)13-20/h1-8,11-13,15H,9-10,14,25H2,(H,27,29)(H,26,28,30)
InChIKeyWSINCKSXUVHIOR-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.56
Rot. Bonds5

About N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide

N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide (PubChem CID 123309364) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
PubChem CID123309364
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
SMILESNc1cnccc1NC(=O)c1ccc(CNC(=O)C2=Cc3ccccc3CC2)cc1
InChIInChI=1S/C24H22N4O2/c25-21-15-26-12-11-22(21)28-24(30)18-7-5-16(6-8-18)14-27-23(29)20-10-9-17-3-1-2-4-19(17)13-20/h1-8,11-13,15H,9-10,14,25H2,(H,27,29)(H,26,28,30)
InChIKeyWSINCKSXUVHIOR-UHFFFAOYSA-N
XLogP3.56
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
CID 90131501
N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594972
N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide
CID 71476191
N-(3-amino-4-pyridinyl)-4-ethylbenzamide
CID 63062261
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-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 22668169
N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide
CID 63063621
N-(3-amino-4-pyridinyl)-4-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide
CID 44593974
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
CID 174424077
phosphoric acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67397836
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide (CID 123309364) is N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide is Nc1cnccc1NC(=O)c1ccc(CNC(=O)C2=Cc3ccccc3CC2)cc1.
What is the InChIKey of N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide?
The InChIKey is WSINCKSXUVHIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c25-21-15-26-12-11-22(21)28-24(30)18-7-5-16(6-8-18)14-27-23(29)20-10-9-17-3-1-2-4-19(17)13-20/h1-8,11-13,15H,9-10,14,25H2,(H,27,29)(H,26,28,30).
What are the key properties of N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide?
N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 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]-3,4-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 123309364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).