N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide

C25H29N5O — CID 44522198

IUPACN-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide
SMILESCC(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C25H29N5O/c1-17(2)24-28-16-22(19-9-12-26-13-10-19)23(30-24)20-7-5-18(6-8-20)14-29-25(31)21-4-3-11-27-15-21/h3-4,9-13,15-18,20H,5-8,14H2,1-2H3,(H,29,31)
InChIKeyGAYJDZZEGOKBID-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.76
Rot. Bonds6

About N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide

N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide (PubChem CID 44522198) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide
PubChem CID44522198
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC NameN-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide
SMILESCC(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C25H29N5O/c1-17(2)24-28-16-22(19-9-12-26-13-10-19)23(30-24)20-7-5-18(6-8-20)14-29-25(31)21-4-3-11-27-15-21/h3-4,9-13,15-18,20H,5-8,14H2,1-2H3,(H,29,31)
InChIKeyGAYJDZZEGOKBID-UHFFFAOYSA-N
XLogP4.76
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide (CID 44522198) is N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide is CC(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)c3cccnc3)CC2)n1.
What is the InChIKey of N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide?
The InChIKey is GAYJDZZEGOKBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-17(2)24-28-16-22(19-9-12-26-13-10-19)23(30-24)20-7-5-18(6-8-20)14-29-25(31)21-4-3-11-27-15-21/h3-4,9-13,15-18,20H,5-8,14H2,1-2H3,(H,29,31).
What are the key properties of N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide?
N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 44522198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).