N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide

C20H27N5O2 — CID 50960350

IUPACN-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(c2cc(C)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C20H27N5O2/c1-14-11-18(24-19(22-14)17-5-4-8-21-12-17)25-9-6-16(7-10-25)20(26)23-15(2)13-27-3/h4-5,8,11-12,15-16H,6-7,9-10,13H2,1-3H3,(H,23,26)
InChIKeyIKTQDEVZDLFUJP-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.21
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide

N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 50960350) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID50960350
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(c2cc(C)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C20H27N5O2/c1-14-11-18(24-19(22-14)17-5-4-8-21-12-17)25-9-6-16(7-10-25)20(26)23-15(2)13-27-3/h4-5,8,11-12,15-16H,6-7,9-10,13H2,1-3H3,(H,23,26)
InChIKeyIKTQDEVZDLFUJP-UHFFFAOYSA-N
XLogP2.21
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276362
2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
CID 167789936
N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 4614545
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768554
4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid
CID 155940183
4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
CID 133464903
N-propan-2-yl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365272
cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol
CID 97185427
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652
1-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 17152731
4-(4-but-3-ynylpiperazin-1-yl)-6-methyl-2-pyridin-3-ylpyrimidine
CID 133276430

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 50960350) is N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide is COCC(C)NC(=O)C1CCN(c2cc(C)nc(-c3cccnc3)n2)CC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is IKTQDEVZDLFUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-11-18(24-19(22-14)17-5-4-8-21-12-17)25-9-6-16(7-10-25)20(26)23-15(2)13-27-3/h4-5,8,11-12,15-16H,6-7,9-10,13H2,1-3H3,(H,23,26).
What are the key properties of N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide?
N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50960350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).