5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide

C18H18N4O3 — CID 99597712

IUPAC5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C(N)=O)nc2)c1
InChIInChI=1S/C18H18N4O3/c1-10-7-14(10)18(25)21-12-4-2-3-11(8-12)17(24)22-13-5-6-15(16(19)23)20-9-13/h2-6,8-10,14H,7H2,1H3,(H2,19,23)(H,21,25)(H,22,24)/t10-,14+/m0/s1
InChIKeyMEYKEDFARDWQAO-IINYFYTJSA-N
MW338.37 g/mol
LogP2.03
Rot. Bonds5

About 5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide

5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide (PubChem CID 99597712) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide
PubChem CID99597712
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C(N)=O)nc2)c1
InChIInChI=1S/C18H18N4O3/c1-10-7-14(10)18(25)21-12-4-2-3-11(8-12)17(24)22-13-5-6-15(16(19)23)20-9-13/h2-6,8-10,14H,7H2,1H3,(H2,19,23)(H,21,25)(H,22,24)/t10-,14+/m0/s1
InChIKeyMEYKEDFARDWQAO-IINYFYTJSA-N
XLogP2.03
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide with MolForge

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Related Compounds

dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478
N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 52523750
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
N-(2,4-difluorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38764784
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46438663
3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 136576817
N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide
CID 94151705
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403
N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46465654

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide (CID 99597712) is 5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide is C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C(N)=O)nc2)c1.
What is the InChIKey of 5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is MEYKEDFARDWQAO-IINYFYTJSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-10-7-14(10)18(25)21-12-4-2-3-11(8-12)17(24)22-13-5-6-15(16(19)23)20-9-13/h2-6,8-10,14H,7H2,1H3,(H2,19,23)(H,21,25)(H,22,24)/t10-,14+/m0/s1.
What are the key properties of 5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide?
5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 99597712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).