N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide

C19H18N4O2 — CID 175062008

IUPACN-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCc1cccnc1
InChIInChI=1S/C19H18N4O2/c1-13(18(24)21-12-14-5-4-10-20-11-14)22-19(25)17-9-8-15-6-2-3-7-16(15)23-17/h2-11,13H,12H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyQYMXPBJSCSKBFR-CYBMUJFWSA-N
MW334.38 g/mol
LogP2.06
Rot. Bonds5

About N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide

N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide (PubChem CID 175062008) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide
PubChem CID175062008
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCc1cccnc1
InChIInChI=1S/C19H18N4O2/c1-13(18(24)21-12-14-5-4-10-20-11-14)22-19(25)17-9-8-15-6-2-3-7-16(15)23-17/h2-11,13H,12H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyQYMXPBJSCSKBFR-CYBMUJFWSA-N
XLogP2.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide
CID 42796393
(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347875
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 94798488
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 175058891
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352
2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 2898433
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide?
The IUPAC name of N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide (CID 175062008) is N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide is C[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCc1cccnc1.
What is the InChIKey of N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide?
The InChIKey is QYMXPBJSCSKBFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13(18(24)21-12-14-5-4-10-20-11-14)22-19(25)17-9-8-15-6-2-3-7-16(15)23-17/h2-11,13H,12H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide?
N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide is sourced from PubChem (CID 175062008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).