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

C16H22N4O2 — CID 109207723

IUPACN-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(NCc2ccco2)ccn1
InChIInChI=1S/C16H22N4O2/c1-20(2)9-4-7-18-16(21)15-11-13(6-8-17-15)19-12-14-5-3-10-22-14/h3,5-6,8,10-11H,4,7,9,12H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyOOMBIWTZSBGBRY-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.97
Rot. Bonds8

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

N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109207723) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109207723
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(NCc2ccco2)ccn1
InChIInChI=1S/C16H22N4O2/c1-20(2)9-4-7-18-16(21)15-11-13(6-8-17-15)19-12-14-5-3-10-22-14/h3,5-6,8,10-11H,4,7,9,12H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyOOMBIWTZSBGBRY-UHFFFAOYSA-N
XLogP1.97
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109207271
4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206035
N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109301857
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
4-(furan-2-ylmethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209456
N-cyclopropyl-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109201702
4-(furan-2-ylmethylamino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207450
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209563
4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109207906

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide (CID 109207723) is N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide is CN(C)CCCNC(=O)c1cc(NCc2ccco2)ccn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is OOMBIWTZSBGBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-20(2)9-4-7-18-16(21)15-11-13(6-8-17-15)19-12-14-5-3-10-22-14/h3,5-6,8,10-11H,4,7,9,12H2,1-2H3,(H,17,19)(H,18,21).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide?
N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109207723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).