(2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide

C19H26N4O — CID 94648602

IUPAC(2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide
SMILESC#CCN1CCCC[C@@H]1C(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C19H26N4O/c1-2-10-22-11-4-3-7-17(22)19(24)21-15-16-8-9-20-18(14-16)23-12-5-6-13-23/h1,8-9,14,17H,3-7,10-13,15H2,(H,21,24)/t17-/m1/s1
InChIKeyYMFWIEZGDPBYEI-QGZVFWFLSA-N
MW326.44 g/mol
LogP1.79
Rot. Bonds5

About (2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide

(2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide (PubChem CID 94648602) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide
PubChem CID94648602
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide
SMILESC#CCN1CCCC[C@@H]1C(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C19H26N4O/c1-2-10-22-11-4-3-7-17(22)19(24)21-15-16-8-9-20-18(14-16)23-12-5-6-13-23/h1,8-9,14,17H,3-7,10-13,15H2,(H,21,24)/t17-/m1/s1
InChIKeyYMFWIEZGDPBYEI-QGZVFWFLSA-N
XLogP1.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841536
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119841546
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(2-cyclopentylethyl)urea
CID 86898877
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(2-hydroxycyclohexyl)urea
CID 111108523
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841355
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 97311922
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
1-[(1-hydroxycycloheptyl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111426686
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55742798
(5S)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661556
2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111427840
(2S,3S)-2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 36758529

Frequently Asked Questions

What is the IUPAC name of (2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide (CID 94648602) is (2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide is C#CCN1CCCC[C@@H]1C(=O)NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of (2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide?
The InChIKey is YMFWIEZGDPBYEI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-10-22-11-4-3-7-17(22)19(24)21-15-16-8-9-20-18(14-16)23-12-5-6-13-23/h1,8-9,14,17H,3-7,10-13,15H2,(H,21,24)/t17-/m1/s1.
What are the key properties of (2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide?
(2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 94648602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).