N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

C18H22N4O — CID 84574864

IUPACN-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2ccnc(N3CCCC3)c2)c1
InChIInChI=1S/C18H22N4O/c1-21(2)16-7-5-6-15(13-16)20-18(23)14-8-9-19-17(12-14)22-10-3-4-11-22/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,23)
InChIKeyUDSGFFUHVNTLSC-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.00
Rot. Bonds4

About N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 84574864) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID84574864
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2ccnc(N3CCCC3)c2)c1
InChIInChI=1S/C18H22N4O/c1-21(2)16-7-5-6-15(13-16)20-18(23)14-8-9-19-17(12-14)22-10-3-4-11-22/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,23)
InChIKeyUDSGFFUHVNTLSC-UHFFFAOYSA-N
XLogP3.00
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
N-pyridin-2-yl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574823
N-(3-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175784
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461785
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 46981532
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 22238130
4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid
CID 63651857
3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide
CID 53137440
ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate
CID 109166245
N-(1H-indazol-6-yl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574865

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (CID 84574864) is N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is CN(C)c1cccc(NC(=O)c2ccnc(N3CCCC3)c2)c1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is UDSGFFUHVNTLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-21(2)16-7-5-6-15(13-16)20-18(23)14-8-9-19-17(12-14)22-10-3-4-11-22/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 84574864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).