(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C19H29N5O2 — CID 51948290

IUPAC(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C19H29N5O2/c1-22(2)17-15(7-5-9-20-17)13-21-18(25)16-8-6-12-24(14-16)19(26)23-10-3-4-11-23/h5,7,9,16H,3-4,6,8,10-14H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyYBIPZXQHUMQSKR-MRXNPFEDSA-N
MW359.47 g/mol
LogP1.69
Rot. Bonds4

About (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 51948290) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID51948290
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C19H29N5O2/c1-22(2)17-15(7-5-9-20-17)13-21-18(25)16-8-6-12-24(14-16)19(26)23-10-3-4-11-23/h5,7,9,16H,3-4,6,8,10-14H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyYBIPZXQHUMQSKR-MRXNPFEDSA-N
XLogP1.69
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 92862538
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55692806
ethyl 1-[N-[[2-(dimethylamino)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993282
(2S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026231
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide
CID 25370039
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95598584
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55692860
1-butylsulfonyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55837999
(3R)-3-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 94028864
4-N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 42565685
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47989411
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 51948290) is (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is CN(C)c1ncccc1CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is YBIPZXQHUMQSKR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-22(2)17-15(7-5-9-20-17)13-21-18(25)16-8-6-12-24(14-16)19(26)23-10-3-4-11-23/h5,7,9,16H,3-4,6,8,10-14H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 51948290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).