N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide

C18H22N4O — CID 72890769

IUPACN-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide
SMILESNc1ncccc1CNC(=O)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C18H22N4O/c19-17-16(4-2-10-21-17)12-22-18(23)14-7-5-13(6-8-14)15-3-1-9-20-11-15/h2,4-8,10,15,20H,1,3,9,11-12H2,(H2,19,21)(H,22,23)
InChIKeyXCWYHHHHJFYHRH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.06
Rot. Bonds4

About N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide

N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide (PubChem CID 72890769) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide
PubChem CID72890769
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide
SMILESNc1ncccc1CNC(=O)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C18H22N4O/c19-17-16(4-2-10-21-17)12-22-18(23)14-7-5-13(6-8-14)15-3-1-9-20-11-15/h2,4-8,10,15,20H,1,3,9,11-12H2,(H2,19,21)(H,22,23)
InChIKeyXCWYHHHHJFYHRH-UHFFFAOYSA-N
XLogP2.06
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
CID 116548123
4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide
CID 97191641
4-piperidin-3-yl-N-(2-pyrazin-2-ylethyl)benzamide
CID 72860445
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592
N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97200837
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide
CID 97210642
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97207201
N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide
CID 167866370
3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine
CID 116506701
N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide
CID 77084725

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide (CID 72890769) is N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide is Nc1ncccc1CNC(=O)c1ccc(C2CCCNC2)cc1.
What is the InChIKey of N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide?
The InChIKey is XCWYHHHHJFYHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c19-17-16(4-2-10-21-17)12-22-18(23)14-7-5-13(6-8-14)15-3-1-9-20-11-15/h2,4-8,10,15,20H,1,3,9,11-12H2,(H2,19,21)(H,22,23).
What are the key properties of N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide?
N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide is sourced from PubChem (CID 72890769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).