2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide

C22H30N4O4 — CID 15163198

IUPAC2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(CO)nc(-c2cc(C(=O)N(CC)CC)cc(CO)n2)c1
InChIInChI=1S/C22H30N4O4/c1-5-25(6-2)21(29)15-9-17(13-27)23-19(11-15)20-12-16(10-18(14-28)24-20)22(30)26(7-3)8-4/h9-12,27-28H,5-8,13-14H2,1-4H3
InChIKeyDDQIOHMTJNMZKV-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.09
Rot. Bonds9

About 2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide

2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide (PubChem CID 15163198) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide
PubChem CID15163198
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(CO)nc(-c2cc(C(=O)N(CC)CC)cc(CO)n2)c1
InChIInChI=1S/C22H30N4O4/c1-5-25(6-2)21(29)15-9-17(13-27)23-19(11-15)20-12-16(10-18(14-28)24-20)22(30)26(7-3)8-4/h9-12,27-28H,5-8,13-14H2,1-4H3
InChIKeyDDQIOHMTJNMZKV-UHFFFAOYSA-N
XLogP2.09
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

1-[4-[4-[4-[2-[3-(Hydroxymethyl)phenyl]-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798428
4-N-cyclopropyl-6-[hydroxy(phenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 132185846
6-[hydroxy(phenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186095
2-[4-[2-[Hexyl(methyl)amino]ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 155518256
US10239838, Example 16
CID 121413972
CID 132185559
CID 132185559
{6-[(2-{4-[(Dimethylamino)methyl]phenyl}-1-piperidinyl)carbonyl]-2-pyridinyl}methanol
CID 70753827
3-[6-(1-Acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid
CID 110112168
(6-{[3-(Hydroxymethyl)-3-(3-methyl-2-buten-1-yl)-1-piperidinyl]carbonyl}-2-pyridinyl)methanol
CID 72852304
6,6'-Dimethyl(2,2'-bipyridine)-4,4'-dicarboxylic acid
CID 14975206
(1R*,3S*)-7-{[6-(hydroxymethyl)-2-pyridinyl]carbonyl}-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 72911491
6-[Benzyl(oxan-4-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 119184863

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide (CID 15163198) is 2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide is CCN(CC)C(=O)c1cc(CO)nc(-c2cc(C(=O)N(CC)CC)cc(CO)n2)c1.
What is the InChIKey of 2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide?
The InChIKey is DDQIOHMTJNMZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-5-25(6-2)21(29)15-9-17(13-27)23-19(11-15)20-12-16(10-18(14-28)24-20)22(30)26(7-3)8-4/h9-12,27-28H,5-8,13-14H2,1-4H3.
What are the key properties of 2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide?
2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide is sourced from PubChem (CID 15163198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).