N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide

C20H24N2O2 — CID 171097047

IUPACN-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
SMILESCOc1ccccc1[C@H](NC(=O)C1CC1)c1ccc(C(C)C)cn1
InChIInChI=1S/C20H24N2O2/c1-13(2)15-10-11-17(21-12-15)19(22-20(23)14-8-9-14)16-6-4-5-7-18(16)24-3/h4-7,10-14,19H,8-9H2,1-3H3,(H,22,23)/t19-/m0/s1
InChIKeyGOAYLHDZZPBKBW-IBGZPJMESA-N
MW324.42 g/mol
LogP3.83
Rot. Bonds6

About N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide

N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide (PubChem CID 171097047) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
PubChem CID171097047
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
SMILESCOc1ccccc1[C@H](NC(=O)C1CC1)c1ccc(C(C)C)cn1
InChIInChI=1S/C20H24N2O2/c1-13(2)15-10-11-17(21-12-15)19(22-20(23)14-8-9-14)16-6-4-5-7-18(16)24-3/h4-7,10-14,19H,8-9H2,1-3H3,(H,22,23)/t19-/m0/s1
InChIKeyGOAYLHDZZPBKBW-IBGZPJMESA-N
XLogP3.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 171097060
N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097068
N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide
CID 95616816
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080
N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097076
3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 81387626
N-[(R)-(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 95806849
N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide
CID 171097049
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 137423495
(3R)-1-cyclopropyl-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 92601337
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]cyclopentanecarboxamide
CID 95706429

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide (CID 171097047) is N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide is COc1ccccc1[C@H](NC(=O)C1CC1)c1ccc(C(C)C)cn1.
What is the InChIKey of N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide?
The InChIKey is GOAYLHDZZPBKBW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13(2)15-10-11-17(21-12-15)19(22-20(23)14-8-9-14)16-6-4-5-7-18(16)24-3/h4-7,10-14,19H,8-9H2,1-3H3,(H,22,23)/t19-/m0/s1.
What are the key properties of N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide?
N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 171097047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).