4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide

C18H23N5O — CID 119043684

IUPAC4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCc2ccnc(N3CCCCCC3)c2)ccn1
InChIInChI=1S/C18H23N5O/c19-18(24)16-12-15(6-8-20-16)22-13-14-5-7-21-17(11-14)23-9-3-1-2-4-10-23/h5-8,11-12H,1-4,9-10,13H2,(H2,19,24)(H,20,22)
InChIKeyFFUVNDPHZJUURH-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.57
Rot. Bonds5

About 4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide

4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide (PubChem CID 119043684) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide
PubChem CID119043684
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCc2ccnc(N3CCCCCC3)c2)ccn1
InChIInChI=1S/C18H23N5O/c19-18(24)16-12-15(6-8-20-16)22-13-14-5-7-21-17(11-14)23-9-3-1-2-4-10-23/h5-8,11-12H,1-4,9-10,13H2,(H2,19,24)(H,20,22)
InChIKeyFFUVNDPHZJUURH-UHFFFAOYSA-N
XLogP2.57
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
1-[(1-hydroxycycloheptyl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111426686
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 154833370
1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one
CID 83888257
(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841552
[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204409
4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide
CID 56545956
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide (CID 119043684) is 4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide is NC(=O)c1cc(NCc2ccnc(N3CCCCCC3)c2)ccn1.
What is the InChIKey of 4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide?
The InChIKey is FFUVNDPHZJUURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c19-18(24)16-12-15(6-8-20-16)22-13-14-5-7-21-17(11-14)23-9-3-1-2-4-10-23/h5-8,11-12H,1-4,9-10,13H2,(H2,19,24)(H,20,22).
What are the key properties of 4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide?
4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 119043684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).