N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide

C22H20ClN3O2 — CID 155315970

IUPACN-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide
SMILESCOc1cnc(-c2ccc(C3(NC(=O)c4ccc(Cl)cc4)CC3)cc2)c(N)c1
InChIInChI=1S/C22H20ClN3O2/c1-28-18-12-19(24)20(25-13-18)14-2-6-16(7-3-14)22(10-11-22)26-21(27)15-4-8-17(23)9-5-15/h2-9,12-13H,10-11,24H2,1H3,(H,26,27)
InChIKeyNULOTQJFZWHPNK-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.41
Rot. Bonds5

About N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide

N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide (PubChem CID 155315970) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide
PubChem CID155315970
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide
SMILESCOc1cnc(-c2ccc(C3(NC(=O)c4ccc(Cl)cc4)CC3)cc2)c(N)c1
InChIInChI=1S/C22H20ClN3O2/c1-28-18-12-19(24)20(25-13-18)14-2-6-16(7-3-14)22(10-11-22)26-21(27)15-4-8-17(23)9-5-15/h2-9,12-13H,10-11,24H2,1H3,(H,26,27)
InChIKeyNULOTQJFZWHPNK-UHFFFAOYSA-N
XLogP4.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[3-amino-5-(difluoromethyl)-2-pyridinyl]phenyl]cyclopropyl]-4-fluorobenzamide
CID 155316108
N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide
CID 155315729
N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide
CID 155316043
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate
CID 113215518
2-amino-N-[1-(3-chlorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110451706
N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
CID 110441479
N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444802
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 113091163
5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685365
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide?
The IUPAC name of N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide (CID 155315970) is N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide?
The canonical SMILES for N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide is COc1cnc(-c2ccc(C3(NC(=O)c4ccc(Cl)cc4)CC3)cc2)c(N)c1.
What is the InChIKey of N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide?
The InChIKey is NULOTQJFZWHPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-28-18-12-19(24)20(25-13-18)14-2-6-16(7-3-14)22(10-11-22)26-21(27)15-4-8-17(23)9-5-15/h2-9,12-13H,10-11,24H2,1H3,(H,26,27).
What are the key properties of N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide?
N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide has a molecular weight of 393.87 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide is sourced from PubChem (CID 155315970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).