N-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide

C18H19N3O3 — CID 97254719

IUPACN-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)N1CC=C(c2cccnc2)CC1
InChIInChI=1S/C18H19N3O3/c1-13(20-17(22)16-6-10-24-12-16)18(23)21-8-4-14(5-9-21)15-3-2-7-19-11-15/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyUQGBEWRYEMQKDH-ZDUSSCGKSA-N
MW325.37 g/mol
LogP2.11
Rot. Bonds4

About N-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide

N-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide (PubChem CID 97254719) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide
PubChem CID97254719
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)N1CC=C(c2cccnc2)CC1
InChIInChI=1S/C18H19N3O3/c1-13(20-17(22)16-6-10-24-12-16)18(23)21-8-4-14(5-9-21)15-3-2-7-19-11-15/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyUQGBEWRYEMQKDH-ZDUSSCGKSA-N
XLogP2.11
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

tert-butyl 4-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58913408
N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide
CID 3903536
tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate
CID 51963673
2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid
CID 129467141
N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide
CID 71940364
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
[(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea
CID 122138997
N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111263791
N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 166200211
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 17455797
4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
CID 134035755

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide (CID 97254719) is N-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide is C[C@H](NC(=O)c1ccoc1)C(=O)N1CC=C(c2cccnc2)CC1.
What is the InChIKey of N-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide?
The InChIKey is UQGBEWRYEMQKDH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13(20-17(22)16-6-10-24-12-16)18(23)21-8-4-14(5-9-21)15-3-2-7-19-11-15/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide?
N-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 97254719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).