1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide

C19H25N5O — CID 110258311

IUPAC1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
SMILESCc1nccc(N2CCCC(CCCc3cccnc3)(C(N)=O)C2)n1
InChIInChI=1S/C19H25N5O/c1-15-22-11-7-17(23-15)24-12-4-9-19(14-24,18(20)25)8-2-5-16-6-3-10-21-13-16/h3,6-7,10-11,13H,2,4-5,8-9,12,14H2,1H3,(H2,20,25)
InChIKeyWTGTZNBEVLJMJD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.27
Rot. Bonds6

About 1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide

1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide (PubChem CID 110258311) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
PubChem CID110258311
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
SMILESCc1nccc(N2CCCC(CCCc3cccnc3)(C(N)=O)C2)n1
InChIInChI=1S/C19H25N5O/c1-15-22-11-7-17(23-15)24-12-4-9-19(14-24,18(20)25)8-2-5-16-6-3-10-21-13-16/h3,6-7,10-11,13H,2,4-5,8-9,12,14H2,1H3,(H2,20,25)
InChIKeyWTGTZNBEVLJMJD-UHFFFAOYSA-N
XLogP2.27
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 95827419
(3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid
CID 95804763
(3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 125018214
N,N,1-trimethyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 110257993
(3S)-1-(2-methylsulfanylpyrimidin-4-yl)-3-(2-phenylethyl)piperidine-3-carboxylic acid
CID 95435764
2-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 71298917
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide
CID 95228012
ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 45241636
3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 56865026
ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 45229594
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123533
2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide
CID 155992556

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide (CID 110258311) is 1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide is Cc1nccc(N2CCCC(CCCc3cccnc3)(C(N)=O)C2)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide?
The InChIKey is WTGTZNBEVLJMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15-22-11-7-17(23-15)24-12-4-9-19(14-24,18(20)25)8-2-5-16-6-3-10-21-13-16/h3,6-7,10-11,13H,2,4-5,8-9,12,14H2,1H3,(H2,20,25).
What are the key properties of 1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide?
1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 110258311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).