N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

C18H28N4O — CID 146129975

IUPACN-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(CN3CCCCC3)C2)c(C)cn1
InChIInChI=1S/C18H28N4O/c1-14-11-19-15(2)10-17(14)20-18(23)22-9-6-16(13-22)12-21-7-4-3-5-8-21/h10-11,16H,3-9,12-13H2,1-2H3,(H,19,20,23)
InChIKeyNCFIOTQKBDEEDX-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.04
Rot. Bonds3

About N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 146129975) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID146129975
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(CN3CCCCC3)C2)c(C)cn1
InChIInChI=1S/C18H28N4O/c1-14-11-19-15(2)10-17(14)20-18(23)22-9-6-16(13-22)12-21-7-4-3-5-8-21/h10-11,16H,3-9,12-13H2,1-2H3,(H,19,20,23)
InChIKeyNCFIOTQKBDEEDX-UHFFFAOYSA-N
XLogP3.04
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylmethyl)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]piperidine-1-carboxamide
CID 47041694
1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 166238376
N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86800649
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 75442945
(3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 99836083
4-(azepan-1-ylmethyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 47041657
N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 75510503
N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127673
(3S)-3-(piperidin-1-ylmethyl)-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide
CID 99826625
4-(azepan-1-ylmethyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 20907587
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 146129975) is N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(CN3CCCCC3)C2)c(C)cn1.
What is the InChIKey of N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is NCFIOTQKBDEEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-11-19-15(2)10-17(14)20-18(23)22-9-6-16(13-22)12-21-7-4-3-5-8-21/h10-11,16H,3-9,12-13H2,1-2H3,(H,19,20,23).
What are the key properties of N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 146129975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).