4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

C19H25N5O2 — CID 109207839

IUPAC4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccnc(C(=O)NCCCN(C)C)c2)c1
InChIInChI=1S/C19H25N5O2/c1-14(25)22-15-6-4-7-16(12-15)23-17-8-10-20-18(13-17)19(26)21-9-5-11-24(2)3/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,20,23)(H,21,26)(H,22,25)
InChIKeyHKGHUSBADNPMHF-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.47
Rot. Bonds8

About 4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (PubChem CID 109207839) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
PubChem CID109207839
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccnc(C(=O)NCCCN(C)C)c2)c1
InChIInChI=1S/C19H25N5O2/c1-14(25)22-15-6-4-7-16(12-15)23-17-8-10-20-18(13-17)19(26)21-9-5-11-24(2)3/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,20,23)(H,21,26)(H,22,25)
InChIKeyHKGHUSBADNPMHF-UHFFFAOYSA-N
XLogP2.47
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213605
4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207821
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109207209
N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208005
4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218356
N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
CID 108884144
4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216443
4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
CID 109217551
4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210484
4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216656
4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207857

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (CID 109207839) is 4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is CC(=O)Nc1cccc(Nc2ccnc(C(=O)NCCCN(C)C)c2)c1.
What is the InChIKey of 4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is HKGHUSBADNPMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14(25)22-15-6-4-7-16(12-15)23-17-8-10-20-18(13-17)19(26)21-9-5-11-24(2)3/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,20,23)(H,21,26)(H,22,25).
What are the key properties of 4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 109207839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).