(3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide

C16H23N5O2 — CID 95580121

IUPAC(3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)Nc2cccnc2N2CCCCC2)C1
InChIInChI=1S/C16H23N5O2/c17-14(22)12-6-10-21(11-12)16(23)19-13-5-4-7-18-15(13)20-8-2-1-3-9-20/h4-5,7,12H,1-3,6,8-11H2,(H2,17,22)(H,19,23)/t12-/m0/s1
InChIKeyAMHAPPYSZZGQKO-LBPRGKRZSA-N
MW317.39 g/mol
LogP1.41
Rot. Bonds3

About (3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide

(3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide (PubChem CID 95580121) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide
PubChem CID95580121
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)Nc2cccnc2N2CCCCC2)C1
InChIInChI=1S/C16H23N5O2/c17-14(22)12-6-10-21(11-12)16(23)19-13-5-4-7-18-15(13)20-8-2-1-3-9-20/h4-5,7,12H,1-3,6,8-11H2,(H2,17,22)(H,19,23)/t12-/m0/s1
InChIKeyAMHAPPYSZZGQKO-LBPRGKRZSA-N
XLogP1.41
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 47041032
3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 119045993
1-N-(2-methoxy-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47222931
4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60847644
3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide
CID 146104104
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 136577040
4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 75434904
(2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 52510173
1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea
CID 50842271
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030879
1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 103755201

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide (CID 95580121) is (3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide is NC(=O)[C@H]1CCN(C(=O)Nc2cccnc2N2CCCCC2)C1.
What is the InChIKey of (3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide?
The InChIKey is AMHAPPYSZZGQKO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5O2/c17-14(22)12-6-10-21(11-12)16(23)19-13-5-4-7-18-15(13)20-8-2-1-3-9-20/h4-5,7,12H,1-3,6,8-11H2,(H2,17,22)(H,19,23)/t12-/m0/s1.
What are the key properties of (3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide?
(3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 95580121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).