5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide

C19H32N4O2 — CID 90941953

IUPAC5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide
SMILESCCCC(C)NC(=O)NC(C)CCCCNC(=O)c1cncc(C)c1
InChIInChI=1S/C19H32N4O2/c1-5-8-15(3)22-19(25)23-16(4)9-6-7-10-21-18(24)17-11-14(2)12-20-13-17/h11-13,15-16H,5-10H2,1-4H3,(H,21,24)(H2,22,23,25)
InChIKeySPFFLLDTFMIBPD-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.17
Rot. Bonds10

About 5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide

5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide (PubChem CID 90941953) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide
PubChem CID90941953
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide
SMILESCCCC(C)NC(=O)NC(C)CCCCNC(=O)c1cncc(C)c1
InChIInChI=1S/C19H32N4O2/c1-5-8-15(3)22-19(25)23-16(4)9-6-7-10-21-18(24)17-11-14(2)12-20-13-17/h11-13,15-16H,5-10H2,1-4H3,(H,21,24)(H2,22,23,25)
InChIKeySPFFLLDTFMIBPD-UHFFFAOYSA-N
XLogP3.17
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
CID 109101912
N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide
CID 104593590
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide
CID 103529100
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide
CID 164641680
N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide
CID 66092534
3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101794
N-butyl-3,5-dimethylbenzamide
CID 17190927
5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide
CID 71920433
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide
CID 178011201

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide (CID 90941953) is 5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide is CCCC(C)NC(=O)NC(C)CCCCNC(=O)c1cncc(C)c1.
What is the InChIKey of 5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide?
The InChIKey is SPFFLLDTFMIBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-5-8-15(3)22-19(25)23-16(4)9-6-7-10-21-18(24)17-11-14(2)12-20-13-17/h11-13,15-16H,5-10H2,1-4H3,(H,21,24)(H2,22,23,25).
What are the key properties of 5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide?
5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.17, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide is sourced from PubChem (CID 90941953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).