2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide

C16H19N3O — CID 90653792

IUPAC2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)Cc2cccnc2)ccn1
InChIInChI=1S/C16H19N3O/c1-3-15-10-14(6-8-18-15)16(20)19-12(2)9-13-5-4-7-17-11-13/h4-8,10-12H,3,9H2,1-2H3,(H,19,20)
InChIKeyHXGVDANAWAUPRK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.40
Rot. Bonds5

About 2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide

2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 90653792) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID90653792
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)Cc2cccnc2)ccn1
InChIInChI=1S/C16H19N3O/c1-3-15-10-14(6-8-18-15)16(20)19-12(2)9-13-5-4-7-17-11-13/h4-8,10-12H,3,9H2,1-2H3,(H,19,20)
InChIKeyHXGVDANAWAUPRK-UHFFFAOYSA-N
XLogP2.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 63011141
2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 99927418
N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide
CID 154783650
N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide
CID 125177536
4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide
CID 125440095
N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
CID 51948817
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide
CID 126443700
4-(2,4-dioxoimidazolidin-1-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide
CID 97203237
2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 112530316
2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine
CID 172607147
2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 167897060

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide (CID 90653792) is 2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide is CCc1cc(C(=O)NC(C)Cc2cccnc2)ccn1.
What is the InChIKey of 2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is HXGVDANAWAUPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-15-10-14(6-8-18-15)16(20)19-12(2)9-13-5-4-7-17-11-13/h4-8,10-12H,3,9H2,1-2H3,(H,19,20).
What are the key properties of 2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide?
2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 90653792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).