cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide

C19H21N3O2 — CID 95616875

IUPACcis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCC(C)(NC(=O)[C@H]1C[C@H]1c1cccnc1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-19(2,18(24)21-14-8-4-3-5-9-14)22-17(23)16-11-15(16)13-7-6-10-20-12-13/h3-10,12,15-16H,11H2,1-2H3,(H,21,24)(H,22,23)/t15-,16-/m0/s1
InChIKeyYDSZOHPOLWXHCN-HOTGVXAUSA-N
MW323.40 g/mol
LogP2.72
Rot. Bonds5

About cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide

cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 95616875) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID95616875
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Namecis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCC(C)(NC(=O)[C@H]1C[C@H]1c1cccnc1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-19(2,18(24)21-14-8-4-3-5-9-14)22-17(23)16-11-15(16)13-7-6-10-20-12-13/h3-10,12,15-16H,11H2,1-2H3,(H,21,24)(H,22,23)/t15-,16-/m0/s1
InChIKeyYDSZOHPOLWXHCN-HOTGVXAUSA-N
XLogP2.72
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 95616875) is cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide is CC(C)(NC(=O)[C@H]1C[C@H]1c1cccnc1)C(=O)Nc1ccccc1.
What is the InChIKey of cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is YDSZOHPOLWXHCN-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(2,18(24)21-14-8-4-3-5-9-14)22-17(23)16-11-15(16)13-7-6-10-20-12-13/h3-10,12,15-16H,11H2,1-2H3,(H,21,24)(H,22,23)/t15-,16-/m0/s1.
What are the key properties of cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 95616875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).