5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide

C16H26ClN3O — CID 114924043

IUPAC5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1cc(NC)ncc1Cl
InChIInChI=1S/C16H26ClN3O/c1-6-12(7-2)20(10-11(3)4)16(21)13-8-15(18-5)19-9-14(13)17/h8-9,11-12H,6-7,10H2,1-5H3,(H,18,19)
InChIKeyADHLGPWRISRFCU-UHFFFAOYSA-N
MW311.86 g/mol
LogP4.06
Rot. Bonds7

About 5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide

5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide (PubChem CID 114924043) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
PubChem CID114924043
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1cc(NC)ncc1Cl
InChIInChI=1S/C16H26ClN3O/c1-6-12(7-2)20(10-11(3)4)16(21)13-8-15(18-5)19-9-14(13)17/h8-9,11-12H,6-7,10H2,1-5H3,(H,18,19)
InChIKeyADHLGPWRISRFCU-UHFFFAOYSA-N
XLogP4.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide (CID 114924043) is 5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide is CCC(CC)N(CC(C)C)C(=O)c1cc(NC)ncc1Cl.
What is the InChIKey of 5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide?
The InChIKey is ADHLGPWRISRFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-6-12(7-2)20(10-11(3)4)16(21)13-8-15(18-5)19-9-14(13)17/h8-9,11-12H,6-7,10H2,1-5H3,(H,18,19).
What are the key properties of 5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide?
5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 114924043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).