N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide

C19H24N4O2 — CID 109263127

IUPACN-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cccc(Nc2ncc(C(=O)NC3CCCCCC3)cn2)c1
InChIInChI=1S/C19H24N4O2/c1-25-17-10-6-9-16(11-17)23-19-20-12-14(13-21-19)18(24)22-15-7-4-2-3-5-8-15/h6,9-13,15H,2-5,7-8H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyWZSXIMIIGGOIKP-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.68
Rot. Bonds5

About N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide

N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109263127) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
PubChem CID109263127
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cccc(Nc2ncc(C(=O)NC3CCCCCC3)cn2)c1
InChIInChI=1S/C19H24N4O2/c1-25-17-10-6-9-16(11-17)23-19-20-12-14(13-21-19)18(24)22-15-7-4-2-3-5-8-15/h6,9-13,15H,2-5,7-8H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyWZSXIMIIGGOIKP-UHFFFAOYSA-N
XLogP3.68
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 1447829
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109322884
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247399
2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249705
N-cyclohexyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109063440
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide (CID 109263127) is N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide is COc1cccc(Nc2ncc(C(=O)NC3CCCCCC3)cn2)c1.
What is the InChIKey of N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is WZSXIMIIGGOIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-17-10-6-9-16(11-17)23-19-20-12-14(13-21-19)18(24)22-15-7-4-2-3-5-8-15/h6,9-13,15H,2-5,7-8H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).