N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide

C18H28N4O — CID 120898687

IUPACN-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(CC3(C)CCNC3)CC2)nc1
InChIInChI=1S/C18H28N4O/c1-14-3-4-16(20-11-14)21-17(23)15-5-9-22(10-6-15)13-18(2)7-8-19-12-18/h3-4,11,15,19H,5-10,12-13H2,1-2H3,(H,20,21,23)
InChIKeyOWUXXCQRRAGZJO-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.04
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide

N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 120898687) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
PubChem CID120898687
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(CC3(C)CCNC3)CC2)nc1
InChIInChI=1S/C18H28N4O/c1-14-3-4-16(20-11-14)21-17(23)15-5-9-22(10-6-15)13-18(2)7-8-19-12-18/h3-4,11,15,19H,5-10,12-13H2,1-2H3,(H,20,21,23)
InChIKeyOWUXXCQRRAGZJO-UHFFFAOYSA-N
XLogP2.04
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120898685
1-[(2-methyl-5-oxopyrrolidin-1-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56806493
2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone
CID 120899277
N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119855182
N-(5-methyl-2-pyridinyl)-1-(morpholine-2-carbonyl)piperidine-4-carboxamide;dihydrochloride
CID 119855179
methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate
CID 50955381
2-[4-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119924327
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55922959
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
1-(4-methoxypiperidine-4-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 119855248
1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 154798177
1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120939525

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide (CID 120898687) is N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(CC3(C)CCNC3)CC2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is OWUXXCQRRAGZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-3-4-16(20-11-14)21-17(23)15-5-9-22(10-6-15)13-18(2)7-8-19-12-18/h3-4,11,15,19H,5-10,12-13H2,1-2H3,(H,20,21,23).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide?
N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120898687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).