N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide

C18H27N5O2 — CID 136524869

IUPACN,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(N2CCN(C(=O)CN3CCCC3)CC2)ccn1
InChIInChI=1S/C18H27N5O2/c1-20(2)18(25)16-13-15(5-6-19-16)22-9-11-23(12-10-22)17(24)14-21-7-3-4-8-21/h5-6,13H,3-4,7-12,14H2,1-2H3
InChIKeyOVDVEOKTRBRVGV-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.53
Rot. Bonds4

About N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide

N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 136524869) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide
PubChem CID136524869
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(N2CCN(C(=O)CN3CCCC3)CC2)ccn1
InChIInChI=1S/C18H27N5O2/c1-20(2)18(25)16-13-15(5-6-19-16)22-9-11-23(12-10-22)17(24)14-21-7-3-4-8-21/h5-6,13H,3-4,7-12,14H2,1-2H3
InChIKeyOVDVEOKTRBRVGV-UHFFFAOYSA-N
XLogP0.53
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid
CID 43395822
4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 63344096
4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide
CID 133313833
N,N-dimethyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxamide
CID 115677825
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide
CID 62917818
N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9488329
azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109208613
[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204371
4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 62063610
2-[4-(4-chloropyridine-2-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858873
methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate
CID 115538469

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide (CID 136524869) is N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide is CN(C)C(=O)c1cc(N2CCN(C(=O)CN3CCCC3)CC2)ccn1.
What is the InChIKey of N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is OVDVEOKTRBRVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-20(2)18(25)16-13-15(5-6-19-16)22-9-11-23(12-10-22)17(24)14-21-7-3-4-8-21/h5-6,13H,3-4,7-12,14H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide?
N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 136524869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).