N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide

C17H15N3O — CID 30479872

IUPACN-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2ccccc2n1)c1ccncc1
InChIInChI=1S/C17H15N3O/c1-12(13-8-10-18-11-9-13)19-17(21)16-7-6-14-4-2-3-5-15(14)20-16/h2-12H,1H3,(H,19,21)/t12-/m0/s1
InChIKeyQKCLSXAPGBZEKZ-LBPRGKRZSA-N
MW277.33 g/mol
LogP3.12
Rot. Bonds3

About N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide

N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide (PubChem CID 30479872) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
PubChem CID30479872
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2ccccc2n1)c1ccncc1
InChIInChI=1S/C17H15N3O/c1-12(13-8-10-18-11-9-13)19-17(21)16-7-6-14-4-2-3-5-15(14)20-16/h2-12H,1H3,(H,19,21)/t12-/m0/s1
InChIKeyQKCLSXAPGBZEKZ-LBPRGKRZSA-N
XLogP3.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide
CID 94066121
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide
CID 9467467
N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 9481673
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493
N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide
CID 88968167
N-heptan-2-ylquinoline-2-carboxamide
CID 46571103
5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide
CID 11312803
N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide
CID 30479888
N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide
CID 51492407

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide?
The IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide (CID 30479872) is N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide is C[C@H](NC(=O)c1ccc2ccccc2n1)c1ccncc1.
What is the InChIKey of N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide?
The InChIKey is QKCLSXAPGBZEKZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12(13-8-10-18-11-9-13)19-17(21)16-7-6-14-4-2-3-5-15(14)20-16/h2-12H,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide?
N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide is sourced from PubChem (CID 30479872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).