N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide

C20H26N4O — CID 109263097

IUPACN-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NC3CCCCCC3)cn2)cc1C
InChIInChI=1S/C20H26N4O/c1-14-9-10-18(11-15(14)2)24-20-21-12-16(13-22-20)19(25)23-17-7-5-3-4-6-8-17/h9-13,17H,3-8H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyFNKUCKPFPNTWKG-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.29
Rot. Bonds4

About N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide

N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide (PubChem CID 109263097) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
PubChem CID109263097
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NC3CCCCCC3)cn2)cc1C
InChIInChI=1S/C20H26N4O/c1-14-9-10-18(11-15(14)2)24-20-21-12-16(13-22-20)19(25)23-17-7-5-3-4-6-8-17/h9-13,17H,3-8H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyFNKUCKPFPNTWKG-UHFFFAOYSA-N
XLogP4.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109249710
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
N-cyclopentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109249624
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109247436
2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250453
N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109250365
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide (CID 109263097) is N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide is Cc1ccc(Nc2ncc(C(=O)NC3CCCCCC3)cn2)cc1C.
What is the InChIKey of N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide?
The InChIKey is FNKUCKPFPNTWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-9-10-18(11-15(14)2)24-20-21-12-16(13-22-20)19(25)23-17-7-5-3-4-6-8-17/h9-13,17H,3-8H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide?
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).