(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide

C19H25N5O — CID 97325846

IUPAC(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CN(Cc2cccnc2)CCN1Cc1cccnc1
InChIInChI=1S/C19H25N5O/c1-22(2)19(25)18-15-23(13-16-5-3-7-20-11-16)9-10-24(18)14-17-6-4-8-21-12-17/h3-8,11-12,18H,9-10,13-15H2,1-2H3/t18-/m1/s1
InChIKeyFDJSSSNKGJDLGY-GOSISDBHSA-N
MW339.44 g/mol
LogP1.25
Rot. Bonds5

About (2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide

(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide (PubChem CID 97325846) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide
PubChem CID97325846
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CN(Cc2cccnc2)CCN1Cc1cccnc1
InChIInChI=1S/C19H25N5O/c1-22(2)19(25)18-15-23(13-16-5-3-7-20-11-16)9-10-24(18)14-17-6-4-8-21-12-17/h3-8,11-12,18H,9-10,13-15H2,1-2H3/t18-/m1/s1
InChIKeyFDJSSSNKGJDLGY-GOSISDBHSA-N
XLogP1.25
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-(pyridin-3-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 131652663
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235
(2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide
CID 129458144
2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 92629095
(4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-(pyridin-3-ylmethyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
CID 70754721
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid
CID 51440497
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
(6R)-1-acetyl-4-(pyridin-3-ylmethyl)-1,4-diazepane-6-carboxylic acid
CID 95804985
(4R,4aR,7aR)-N,N-dimethyl-1,1-dioxo-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrole-4-carboxamide
CID 124805501
N-methyl-N-(pyridin-3-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70776101
(3S)-N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95463543
N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56864333

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide (CID 97325846) is (2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide is CN(C)C(=O)[C@H]1CN(Cc2cccnc2)CCN1Cc1cccnc1.
What is the InChIKey of (2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide?
The InChIKey is FDJSSSNKGJDLGY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N5O/c1-22(2)19(25)18-15-23(13-16-5-3-7-20-11-16)9-10-24(18)14-17-6-4-8-21-12-17/h3-8,11-12,18H,9-10,13-15H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide?
(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 97325846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).