5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide

C17H28N4O — CID 134435543

IUPAC5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide
SMILESCNCCCCC(=O)NC1(Cc2ccccn2)CCNCC1
InChIInChI=1S/C17H28N4O/c1-18-10-4-3-7-16(22)21-17(8-12-19-13-9-17)14-15-6-2-5-11-20-15/h2,5-6,11,18-19H,3-4,7-10,12-14H2,1H3,(H,21,22)
InChIKeyABUGQMJIILOSHL-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.25
Rot. Bonds8

About 5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide

5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide (PubChem CID 134435543) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound Name5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide
PubChem CID134435543
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide
SMILESCNCCCCC(=O)NC1(Cc2ccccn2)CCNCC1
InChIInChI=1S/C17H28N4O/c1-18-10-4-3-7-16(22)21-17(8-12-19-13-9-17)14-15-6-2-5-11-20-15/h2,5-6,11,18-19H,3-4,7-10,12-14H2,1H3,(H,21,22)
InChIKeyABUGQMJIILOSHL-UHFFFAOYSA-N
XLogP1.25
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(methylamino)-1-pyridin-2-ylpentan-2-one
CID 116555736
9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate
CID 134434896
4-(methoxymethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;dihydrochloride
CID 120615837
N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide
CID 74221816
4-[(pyridin-2-ylmethylamino)methyl]piperidin-4-ol
CID 82286679
3-ethyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55165709
methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate
CID 116929876
N,N-dimethyl-4-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide;dihydrochloride
CID 71298562
4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride
CID 119874666
4-(methylamino)-1-pyridin-2-ylbutan-1-one
CID 83816768
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
2-amino-3-methyl-N-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide
CID 142327146

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide?
The IUPAC name of 5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide (CID 134435543) is 5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide.
What is the SMILES notation for 5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide?
The canonical SMILES for 5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide is CNCCCCC(=O)NC1(Cc2ccccn2)CCNCC1.
What is the InChIKey of 5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide?
The InChIKey is ABUGQMJIILOSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-18-10-4-3-7-16(22)21-17(8-12-19-13-9-17)14-15-6-2-5-11-20-15/h2,5-6,11,18-19H,3-4,7-10,12-14H2,1H3,(H,21,22).
What are the key properties of 5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide?
5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide has a molecular weight of 304.44 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 134435543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).