N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide

C25H22N4O3 — CID 78792765

IUPACN-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H22N4O3/c1-18-6-7-21(14-22(18)28-24(30)23-5-3-13-32-23)25(31)29(16-19-8-11-26-12-9-19)17-20-4-2-10-27-15-20/h2-15H,16-17H2,1H3,(H,28,30)
InChIKeyPINODCWNFAHPKJ-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.47
Rot. Bonds7

About N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide

N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 78792765) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID78792765
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H22N4O3/c1-18-6-7-21(14-22(18)28-24(30)23-5-3-13-32-23)25(31)29(16-19-8-11-26-12-9-19)17-20-4-2-10-27-15-20/h2-15H,16-17H2,1H3,(H,28,30)
InChIKeyPINODCWNFAHPKJ-UHFFFAOYSA-N
XLogP4.47
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-4-ylpropyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 78772300
N-[5-[methoxy(methyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148992
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 31215370
N-[5-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 112794246
N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 38685034
N-[5-[(3-chlorophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 27795274
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
N-[4-(furan-2-carbonylamino)-3-methylphenyl]pyridine-3-carboxamide
CID 650804
methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate
CID 118781930
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 29470170
N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41276141

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide (CID 78792765) is N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide is Cc1ccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is PINODCWNFAHPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-18-6-7-21(14-22(18)28-24(30)23-5-3-13-32-23)25(31)29(16-19-8-11-26-12-9-19)17-20-4-2-10-27-15-20/h2-15H,16-17H2,1H3,(H,28,30).
What are the key properties of N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 78792765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).