N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide

C17H17N5O3 — CID 94032072

IUPACN-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H17N5O3/c1-12(21-17(24)14-5-8-25-11-14)16(23)19-10-13-3-4-15(18-9-13)22-7-2-6-20-22/h2-9,11-12H,10H2,1H3,(H,19,23)(H,21,24)/t12-/m0/s1
InChIKeyRFHNPEFYBWHCAR-LBPRGKRZSA-N
MW339.36 g/mol
LogP1.29
Rot. Bonds6

About N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide

N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide (PubChem CID 94032072) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
PubChem CID94032072
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H17N5O3/c1-12(21-17(24)14-5-8-25-11-14)16(23)19-10-13-3-4-15(18-9-13)22-7-2-6-20-22/h2-9,11-12H,10H2,1H3,(H,19,23)(H,21,24)/t12-/m0/s1
InChIKeyRFHNPEFYBWHCAR-LBPRGKRZSA-N
XLogP1.29
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 98691531
(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 98727349
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 55941346
N-[1-oxo-1-[(2-phenoxy-4-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
CID 47057211
N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 94031986
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51089781
N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 47056942
(2R)-2-[(3-methoxyphenyl)methoxy]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 51943718
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide (CID 94032072) is N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide is C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(-n2cccn2)nc1.
What is the InChIKey of N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide?
The InChIKey is RFHNPEFYBWHCAR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-12(21-17(24)14-5-8-25-11-14)16(23)19-10-13-3-4-15(18-9-13)22-7-2-6-20-22/h2-9,11-12H,10H2,1H3,(H,19,23)(H,21,24)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide?
N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 94032072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).