N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide

C26H30N4O2 — CID 45244793

IUPACN-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide
SMILESCC(CCc1ccccc1)NCc1cc(NC(=O)c2ccccn2)cc(C(=O)N(C)C)c1
InChIInChI=1S/C26H30N4O2/c1-19(12-13-20-9-5-4-6-10-20)28-18-21-15-22(26(32)30(2)3)17-23(16-21)29-25(31)24-11-7-8-14-27-24/h4-11,14-17,19,28H,12-13,18H2,1-3H3,(H,29,31)
InChIKeyLZMSEVVHKUKTGS-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.15
Rot. Bonds9

About N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide

N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide (PubChem CID 45244793) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide
PubChem CID45244793
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide
SMILESCC(CCc1ccccc1)NCc1cc(NC(=O)c2ccccn2)cc(C(=O)N(C)C)c1
InChIInChI=1S/C26H30N4O2/c1-19(12-13-20-9-5-4-6-10-20)28-18-21-15-22(26(32)30(2)3)17-23(16-21)29-25(31)24-11-7-8-14-27-24/h4-11,14-17,19,28H,12-13,18H2,1-3H3,(H,29,31)
InChIKeyLZMSEVVHKUKTGS-UHFFFAOYSA-N
XLogP4.15
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide
CID 45244425
N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide
CID 42440808
N-[3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]-5-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 42430841
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide
CID 42382022
N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 134998602
N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 72711534
N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
CID 46477958
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 43085015
4-[3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]-N,N-dimethylbenzamide
CID 70429456
methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-5-[(pyridine-2-carbonylamino)methyl]benzoate
CID 42367388

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide (CID 45244793) is N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide is CC(CCc1ccccc1)NCc1cc(NC(=O)c2ccccn2)cc(C(=O)N(C)C)c1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is LZMSEVVHKUKTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19(12-13-20-9-5-4-6-10-20)28-18-21-15-22(26(32)30(2)3)17-23(16-21)29-25(31)24-11-7-8-14-27-24/h4-11,14-17,19,28H,12-13,18H2,1-3H3,(H,29,31).
What are the key properties of N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide?
N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 45244793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).