N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide

C24H33N5O — CID 92580651

IUPACN-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide
SMILESCC(C)c1nc(N2CCC(NC(=O)C3CCCCC3)CC2)ncc1-c1ccncc1
InChIInChI=1S/C24H33N5O/c1-17(2)22-21(18-8-12-25-13-9-18)16-26-24(28-22)29-14-10-20(11-15-29)27-23(30)19-6-4-3-5-7-19/h8-9,12-13,16-17,19-20H,3-7,10-11,14-15H2,1-2H3,(H,27,30)
InChIKeyIUJUGSPNOOWSFI-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.33
Rot. Bonds5

About N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide

N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 92580651) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide
PubChem CID92580651
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC NameN-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide
SMILESCC(C)c1nc(N2CCC(NC(=O)C3CCCCC3)CC2)ncc1-c1ccncc1
InChIInChI=1S/C24H33N5O/c1-17(2)22-21(18-8-12-25-13-9-18)16-26-24(28-22)29-14-10-20(11-15-29)27-23(30)19-6-4-3-5-7-19/h8-9,12-13,16-17,19-20H,3-7,10-11,14-15H2,1-2H3,(H,27,30)
InChIKeyIUJUGSPNOOWSFI-UHFFFAOYSA-N
XLogP4.33
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 92583674
(2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide
CID 92580652
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide
CID 133351817
N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801
N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide
CID 46955599
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide
CID 146126539
N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146198
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630
N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide
CID 46967148
cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110219759
4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146108
N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146126

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide (CID 92580651) is N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide is CC(C)c1nc(N2CCC(NC(=O)C3CCCCC3)CC2)ncc1-c1ccncc1.
What is the InChIKey of N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is IUJUGSPNOOWSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-17(2)22-21(18-8-12-25-13-9-18)16-26-24(28-22)29-14-10-20(11-15-29)27-23(30)19-6-4-3-5-7-19/h8-9,12-13,16-17,19-20H,3-7,10-11,14-15H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide?
N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 92580651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).