N-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

C23H32N6O2 — CID 166112036

IUPACN-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(N2CCC(CNC(=O)c3ccc(C(C)C)cn3)CC2)nc1
InChIInChI=1S/C23H32N6O2/c1-15(2)18-5-6-20(24-12-18)22(31)25-11-17-7-9-29(10-8-17)23-26-13-19(14-27-23)21(30)28-16(3)4/h5-6,12-17H,7-11H2,1-4H3,(H,25,31)(H,28,30)
InChIKeyRBYPOMDCSDTFGZ-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.78
Rot. Bonds7

About N-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

N-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 166112036) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID166112036
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC NameN-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(N2CCC(CNC(=O)c3ccc(C(C)C)cn3)CC2)nc1
InChIInChI=1S/C23H32N6O2/c1-15(2)18-5-6-20(24-12-18)22(31)25-11-17-7-9-29(10-8-17)23-26-13-19(14-27-23)21(30)28-16(3)4/h5-6,12-17H,7-11H2,1-4H3,(H,25,31)(H,28,30)
InChIKeyRBYPOMDCSDTFGZ-UHFFFAOYSA-N
XLogP2.78
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 166045151
2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246951
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 91814160
N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109246934
N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
CID 116976203
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109248819
5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 81316570
N-[[1-[5-(1-aminoethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736472
N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736481
5-(cyclobutylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43427412
3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide
CID 91814088
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (CID 166112036) is N-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc(N2CCC(CNC(=O)c3ccc(C(C)C)cn3)CC2)nc1.
What is the InChIKey of N-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is RBYPOMDCSDTFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-15(2)18-5-6-20(24-12-18)22(31)25-11-17-7-9-29(10-8-17)23-26-13-19(14-27-23)21(30)28-16(3)4/h5-6,12-17H,7-11H2,1-4H3,(H,25,31)(H,28,30).
What are the key properties of N-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
N-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 166112036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).