N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide

C16H24N2O2 — CID 99781873

IUPACN-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide
SMILESCCC(CC)[C@H]1C[C@@H](NC(=O)c2ccncc2)CCO1
InChIInChI=1S/C16H24N2O2/c1-3-12(4-2)15-11-14(7-10-20-15)18-16(19)13-5-8-17-9-6-13/h5-6,8-9,12,14-15H,3-4,7,10-11H2,1-2H3,(H,18,19)/t14-,15+/m0/s1
InChIKeyATCRMCDXAZNWND-LSDHHAIUSA-N
MW276.38 g/mol
LogP2.80
Rot. Bonds5

About N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide

N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide (PubChem CID 99781873) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide
PubChem CID99781873
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide
SMILESCCC(CC)[C@H]1C[C@@H](NC(=O)c2ccncc2)CCO1
InChIInChI=1S/C16H24N2O2/c1-3-12(4-2)15-11-14(7-10-20-15)18-16(19)13-5-8-17-9-6-13/h5-6,8-9,12,14-15H,3-4,7,10-11H2,1-2H3,(H,18,19)/t14-,15+/m0/s1
InChIKeyATCRMCDXAZNWND-LSDHHAIUSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]pyridine-4-carboxamide
CID 124760013
4-(dimethylamino)-3-nitro-N-[(2R,4S)-2-pentan-3-yloxan-4-yl]benzamide
CID 97259816
4-[[(2-pentan-3-yloxan-4-yl)carbamoylamino]methyl]benzoic acid
CID 122009360
N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 167891122
4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674585
1-(2,5-difluorophenyl)-3-[(2S,4R)-2-pentan-3-yloxan-4-yl]urea
CID 97260481
1-(2,5-difluorophenyl)-3-[(2S,4S)-2-pentan-3-yloxan-4-yl]urea
CID 97260483
1-(2,5-difluorophenyl)-3-[(2R,4R)-2-pentan-3-yloxan-4-yl]urea
CID 97260482
N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133440386
5-bromo-3-nitro-N-[(2S,4R)-2-pentan-3-yloxan-4-yl]thiophene-2-carboxamide
CID 100674633
2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide
CID 122135801
N-cyclopentylpyridine-4-carboxamide
CID 4212000

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide (CID 99781873) is N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide is CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccncc2)CCO1.
What is the InChIKey of N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide?
The InChIKey is ATCRMCDXAZNWND-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-12(4-2)15-11-14(7-10-20-15)18-16(19)13-5-8-17-9-6-13/h5-6,8-9,12,14-15H,3-4,7,10-11H2,1-2H3,(H,18,19)/t14-,15+/m0/s1.
What are the key properties of N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide?
N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 99781873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).