N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide

C23H24N4O2 — CID 47090333

IUPACN-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ncccc1OCC1CCCCC1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C23H24N4O2/c28-23(19-14-25-21(26-15-19)18-10-5-2-6-11-18)27-22-20(12-7-13-24-22)29-16-17-8-3-1-4-9-17/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H,24,27,28)
InChIKeyUBWOCUYJUOAGBM-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.75
Rot. Bonds6

About N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide

N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide (PubChem CID 47090333) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide
PubChem CID47090333
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ncccc1OCC1CCCCC1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C23H24N4O2/c28-23(19-14-25-21(26-15-19)18-10-5-2-6-11-18)27-22-20(12-7-13-24-22)29-16-17-8-3-1-4-9-17/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H,24,27,28)
InChIKeyUBWOCUYJUOAGBM-UHFFFAOYSA-N
XLogP4.75
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119872216
N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47090328
1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride
CID 166276334
4-(cyclopropylmethoxy)-N-(3-hydroxy-2-pyridinyl)benzamide
CID 60572307
2-[2-(cyclohexylmethoxy)phenyl]acetic acid
CID 11974933
2-chloro-3-(cyclohexylmethoxy)pyridine
CID 65101918
3-(cyclohexylmethoxy)pyridine-2-carbaldehyde
CID 171364232
7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide
CID 90857782
N-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide
CID 95908512
3-(cycloheptylmethoxy)pyridine-2-carbonitrile
CID 114083871
N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731
3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 139945086

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide (CID 47090333) is N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide is O=C(Nc1ncccc1OCC1CCCCC1)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide?
The InChIKey is UBWOCUYJUOAGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23(19-14-25-21(26-15-19)18-10-5-2-6-11-18)27-22-20(12-7-13-24-22)29-16-17-8-3-1-4-9-17/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H,24,27,28).
What are the key properties of N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide?
N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 47090333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).