N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide

C22H30N4O2 — CID 29255180

IUPACN-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(N3CCCN(C)CC3)nc2)cc1
InChIInChI=1S/C22H30N4O2/c1-25-13-4-14-26(16-15-25)21-11-8-19(17-24-21)22(27)23-12-3-5-18-6-9-20(28-2)10-7-18/h6-11,17H,3-5,12-16H2,1-2H3,(H,23,27)
InChIKeyHQFQYSXDBFXZAH-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.59
Rot. Bonds7

About N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide

N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide (PubChem CID 29255180) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
PubChem CID29255180
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(N3CCCN(C)CC3)nc2)cc1
InChIInChI=1S/C22H30N4O2/c1-25-13-4-14-26(16-15-25)21-11-8-19(17-24-21)22(27)23-12-3-5-18-6-9-20(28-2)10-7-18/h6-11,17H,3-5,12-16H2,1-2H3,(H,23,27)
InChIKeyHQFQYSXDBFXZAH-UHFFFAOYSA-N
XLogP2.59
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56742685
6-[(3R)-3-(aminomethyl)piperidin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 95226323
6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 45221796
6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56755893
N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109159052
2-[[6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carbonyl]amino]ethyl nitrate;dihydrochloride
CID 67835919
N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-4-phenoxybenzamide
CID 47050637
6-(4-methyl-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 42518469
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide (CID 29255180) is N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide is COc1ccc(CCCNC(=O)c2ccc(N3CCCN(C)CC3)nc2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide?
The InChIKey is HQFQYSXDBFXZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-25-13-4-14-26(16-15-25)21-11-8-19(17-24-21)22(27)23-12-3-5-18-6-9-20(28-2)10-7-18/h6-11,17H,3-5,12-16H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide?
N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 29255180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).