N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide

C14H23N5O — CID 43600424

IUPACN,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCCN2CCNCC2)ccn1
InChIInChI=1S/C14H23N5O/c1-18(2)14(20)13-11-12(3-4-17-13)16-7-10-19-8-5-15-6-9-19/h3-4,11,15H,5-10H2,1-2H3,(H,16,17)
InChIKeyNXUXFWSSFWYVSC-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.10
Rot. Bonds5

About N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide

N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide (PubChem CID 43600424) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide
PubChem CID43600424
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCCN2CCNCC2)ccn1
InChIInChI=1S/C14H23N5O/c1-18(2)14(20)13-11-12(3-4-17-13)16-7-10-19-8-5-15-6-9-19/h3-4,11,15H,5-10H2,1-2H3,(H,16,17)
InChIKeyNXUXFWSSFWYVSC-UHFFFAOYSA-N
XLogP0.10
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide (CID 43600424) is N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide is CN(C)C(=O)c1cc(NCCN2CCNCC2)ccn1.
What is the InChIKey of N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide?
The InChIKey is NXUXFWSSFWYVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-18(2)14(20)13-11-12(3-4-17-13)16-7-10-19-8-5-15-6-9-19/h3-4,11,15H,5-10H2,1-2H3,(H,16,17).
What are the key properties of N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide?
N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 43600424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).