4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide

C21H28N4O2 — CID 126436627

IUPAC4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
SMILESCc1nc(N)ccc1-c1ccc(C(=O)NCCCN2CCC[C@H](O)C2)cc1
InChIInChI=1S/C21H28N4O2/c1-15-19(9-10-20(22)24-15)16-5-7-17(8-6-16)21(27)23-11-3-13-25-12-2-4-18(26)14-25/h5-10,18,26H,2-4,11-14H2,1H3,(H2,22,24)(H,23,27)/t18-/m0/s1
InChIKeyHJLNIEJRKMFEAM-SFHVURJKSA-N
MW368.48 g/mol
LogP2.22
Rot. Bonds6

About 4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide

4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide (PubChem CID 126436627) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
PubChem CID126436627
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
SMILESCc1nc(N)ccc1-c1ccc(C(=O)NCCCN2CCC[C@H](O)C2)cc1
InChIInChI=1S/C21H28N4O2/c1-15-19(9-10-20(22)24-15)16-5-7-17(8-6-16)21(27)23-11-3-13-25-12-2-4-18(26)14-25/h5-10,18,26H,2-4,11-14H2,1H3,(H2,22,24)(H,23,27)/t18-/m0/s1
InChIKeyHJLNIEJRKMFEAM-SFHVURJKSA-N
XLogP2.22
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.22
H-Bond Donors ≤ 53
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-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 119064664
4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 125170855
N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide
CID 142245443
N-[3-(3-hydroxypiperidin-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131895752
3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 125444247
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 125155609
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 126428240
3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 95873193
6-[3-(3-hydroxypiperidin-1-yl)propylamino]pyridine-3-carboxamide
CID 131915518
2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 20967727

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The IUPAC name of 4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide (CID 126436627) is 4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide is Cc1nc(N)ccc1-c1ccc(C(=O)NCCCN2CCC[C@H](O)C2)cc1.
What is the InChIKey of 4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The InChIKey is HJLNIEJRKMFEAM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-19(9-10-20(22)24-15)16-5-7-17(8-6-16)21(27)23-11-3-13-25-12-2-4-18(26)14-25/h5-10,18,26H,2-4,11-14H2,1H3,(H2,22,24)(H,23,27)/t18-/m0/s1.
What are the key properties of 4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide?
4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 126436627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).