cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide

C17H25N3O2 — CID 94625593

IUPACcis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide
SMILESCC(C)N(Cc1ccccn1)C(=O)CCNC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C17H25N3O2/c1-12(2)20(11-14-6-4-5-8-18-14)16(21)7-9-19-17(22)15-10-13(15)3/h4-6,8,12-13,15H,7,9-11H2,1-3H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyXVDLZJZUUPOIKW-HIFRSBDPSA-N
MW303.41 g/mol
LogP1.98
Rot. Bonds7

About cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide (PubChem CID 94625593) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide
PubChem CID94625593
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Namecis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide
SMILESCC(C)N(Cc1ccccn1)C(=O)CCNC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C17H25N3O2/c1-12(2)20(11-14-6-4-5-8-18-14)16(21)7-9-19-17(22)15-10-13(15)3/h4-6,8,12-13,15H,7,9-11H2,1-3H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyXVDLZJZUUPOIKW-HIFRSBDPSA-N
XLogP1.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide
CID 51729582
cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378868
5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
CID 107909493
3-piperidin-2-yl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 62210038
3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 62964578
cis-(1R,2S)-N-[3-[(2-hydroxyphenyl)methyl-propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95294519
cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 94822499
N-propan-2-yl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)acetamide
CID 51088398
trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95596952
2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388294
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 51123814
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide (CID 94625593) is cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide is CC(C)N(Cc1ccccn1)C(=O)CCNC(=O)[C@H]1C[C@H]1C.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide?
The InChIKey is XVDLZJZUUPOIKW-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)20(11-14-6-4-5-8-18-14)16(21)7-9-19-17(22)15-10-13(15)3/h4-6,8,12-13,15H,7,9-11H2,1-3H3,(H,19,22)/t13-,15+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94625593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).