N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide

C15H24N4O — CID 60703987

IUPACN,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCCCN2CCCC2)ccn1
InChIInChI=1S/C15H24N4O/c1-18(2)15(20)14-12-13(6-8-17-14)16-7-5-11-19-9-3-4-10-19/h6,8,12H,3-5,7,9-11H2,1-2H3,(H,16,17)
InChIKeyFXXPVIQOOADRMQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.68
Rot. Bonds6

About N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide

N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide (PubChem CID 60703987) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide
PubChem CID60703987
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCCCN2CCCC2)ccn1
InChIInChI=1S/C15H24N4O/c1-18(2)15(20)14-12-13(6-8-17-14)16-7-5-11-19-9-3-4-10-19/h6,8,12H,3-5,7,9-11H2,1-2H3,(H,16,17)
InChIKeyFXXPVIQOOADRMQ-UHFFFAOYSA-N
XLogP1.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide
CID 43600424
N,N-dimethyl-4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carboxamide
CID 62992312
N,N-dimethyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxamide
CID 115677825
N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 60704743
N,N-dimethyl-4-(2-piperidin-1-ylpropylamino)pyridine-2-carboxamide
CID 61017944
N,N-dimethyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carboxamide
CID 62642740
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide
CID 43402718
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785
N,N-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridine-2-carboxamide
CID 61348905
4-[(1-methoxycyclobutyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 103989633
4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile
CID 55136840

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide (CID 60703987) is N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide is CN(C)C(=O)c1cc(NCCCN2CCCC2)ccn1.
What is the InChIKey of N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide?
The InChIKey is FXXPVIQOOADRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18(2)15(20)14-12-13(6-8-17-14)16-7-5-11-19-9-3-4-10-19/h6,8,12H,3-5,7,9-11H2,1-2H3,(H,16,17).
What are the key properties of N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide?
N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 60703987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).