N,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide

C25H35N5O2 — CID 98073110

IUPACN,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(C(C)C)nc1C1CCC(CNC(=O)c2ccncc2)CC1
InChIInChI=1S/C25H35N5O2/c1-5-30(6-2)25(32)21-16-27-23(17(3)4)29-22(21)19-9-7-18(8-10-19)15-28-24(31)20-11-13-26-14-12-20/h11-14,16-19H,5-10,15H2,1-4H3,(H,28,31)
InChIKeyCPVMGWJCILLMRP-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.18
Rot. Bonds8

About N,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide

N,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide (PubChem CID 98073110) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide
PubChem CID98073110
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC NameN,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(C(C)C)nc1C1CCC(CNC(=O)c2ccncc2)CC1
InChIInChI=1S/C25H35N5O2/c1-5-30(6-2)25(32)21-16-27-23(17(3)4)29-22(21)19-9-7-18(8-10-19)15-28-24(31)20-11-13-26-14-12-20/h11-14,16-19H,5-10,15H2,1-4H3,(H,28,31)
InChIKeyCPVMGWJCILLMRP-UHFFFAOYSA-N
XLogP4.18
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 110222877
4-[4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]cyclohexyl]-N,N-diethyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 110222879
N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide
CID 98133681
5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55043487
5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 110235419
2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide
CID 98133702
N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide
CID 98073085
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
CID 98134577
N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143618
N-[[4-[5-(dimethylcarbamoyl)-2-methylpyrimidin-4-yl]cyclohexyl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 98072822
N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 110737220

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide (CID 98073110) is N,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(C(C)C)nc1C1CCC(CNC(=O)c2ccncc2)CC1.
What is the InChIKey of N,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide?
The InChIKey is CPVMGWJCILLMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-5-30(6-2)25(32)21-16-27-23(17(3)4)29-22(21)19-9-7-18(8-10-19)15-28-24(31)20-11-13-26-14-12-20/h11-14,16-19H,5-10,15H2,1-4H3,(H,28,31).
What are the key properties of N,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide?
N,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 98073110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).