N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

C19H26N4O — CID 44764046

IUPACN-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ccc(C(=O)NCCCN(C)c2ccccc2)cn1
InChIInChI=1S/C19H26N4O/c1-15(2)22-18-11-10-16(14-21-18)19(24)20-12-7-13-23(3)17-8-5-4-6-9-17/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyDKFMSPNEGGQZRE-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.16
Rot. Bonds8

About N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 44764046) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID44764046
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ccc(C(=O)NCCCN(C)c2ccccc2)cn1
InChIInChI=1S/C19H26N4O/c1-15(2)22-18-11-10-16(14-21-18)19(24)20-12-7-13-23(3)17-8-5-4-6-9-17/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyDKFMSPNEGGQZRE-UHFFFAOYSA-N
XLogP3.16
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 66462506
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154394
4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
CID 27746715

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (CID 44764046) is N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1ccc(C(=O)NCCCN(C)c2ccccc2)cn1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is DKFMSPNEGGQZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(2)22-18-11-10-16(14-21-18)19(24)20-12-7-13-23(3)17-8-5-4-6-9-17/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 44764046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).