N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide

C22H28ClN3O2 — CID 172658972

IUPACN-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(C(C)CN(C)C)c(=O)c1C(=O)NC1(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H28ClN3O2/c1-15-9-12-26(16(2)14-25(3)4)21(28)19(15)20(27)24-22(10-11-22)13-17-5-7-18(23)8-6-17/h5-9,12,16H,10-11,13-14H2,1-4H3,(H,24,27)
InChIKeyVPPPDUBJFDBSCA-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.44
Rot. Bonds7

About N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172658972) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172658972
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(C(C)CN(C)C)c(=O)c1C(=O)NC1(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H28ClN3O2/c1-15-9-12-26(16(2)14-25(3)4)21(28)19(15)20(27)24-22(10-11-22)13-17-5-7-18(23)8-6-17/h5-9,12,16H,10-11,13-14H2,1-4H3,(H,24,27)
InChIKeyVPPPDUBJFDBSCA-UHFFFAOYSA-N
XLogP3.44
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide (CID 172658972) is N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide is Cc1ccn(C(C)CN(C)C)c(=O)c1C(=O)NC1(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is VPPPDUBJFDBSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c1-15-9-12-26(16(2)14-25(3)4)21(28)19(15)20(27)24-22(10-11-22)13-17-5-7-18(23)8-6-17/h5-9,12,16H,10-11,13-14H2,1-4H3,(H,24,27).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 401.94 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172658972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).