N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

C19H24N4O — CID 109201439

IUPACN-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2ccc(N3CCCC3)cc2)ccn1
InChIInChI=1S/C19H24N4O/c1-14(2)21-19(24)18-13-16(9-10-20-18)22-15-5-7-17(8-6-15)23-11-3-4-12-23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyKTRKMQZEBTWEGI-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.56
Rot. Bonds5

About N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (PubChem CID 109201439) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
PubChem CID109201439
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2ccc(N3CCCC3)cc2)ccn1
InChIInChI=1S/C19H24N4O/c1-14(2)21-19(24)18-13-16(9-10-20-18)22-15-5-7-17(8-6-15)23-11-3-4-12-23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyKTRKMQZEBTWEGI-UHFFFAOYSA-N
XLogP3.56
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109203383
4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
CID 63180412
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179591
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109218364
4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201306
4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218895
[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204507
azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218600
N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109217771
1-propan-2-yl-3-[4-(4-pyrrolidin-1-ylanilino)phenyl]urea
CID 112988776

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (CID 109201439) is N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is CC(C)NC(=O)c1cc(Nc2ccc(N3CCCC3)cc2)ccn1.
What is the InChIKey of N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The InChIKey is KTRKMQZEBTWEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(2)21-19(24)18-13-16(9-10-20-18)22-15-5-7-17(8-6-15)23-11-3-4-12-23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109201439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).