(2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

C20H26N6O — CID 52511508

IUPAC(2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCc1cc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C20H26N6O/c1-14-13-18(24-19(22-14)16-5-7-21-8-6-16)26-11-9-25(10-12-26)15(2)20(27)23-17-3-4-17/h5-8,13,15,17H,3-4,9-12H2,1-2H3,(H,23,27)/t15-/m1/s1
InChIKeyKSEJMNLGAYSRFS-OAHLLOKOSA-N
MW366.47 g/mol
LogP1.64
Rot. Bonds5

About (2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

(2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (PubChem CID 52511508) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
PubChem CID52511508
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCc1cc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C20H26N6O/c1-14-13-18(24-19(22-14)16-5-7-21-8-6-16)26-11-9-25(10-12-26)15(2)20(27)23-17-3-4-17/h5-8,13,15,17H,3-4,9-12H2,1-2H3,(H,23,27)/t15-/m1/s1
InChIKeyKSEJMNLGAYSRFS-OAHLLOKOSA-N
XLogP1.64
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide with MolForge

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Related Compounds

N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide
CID 138033404
2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349733
2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 133434322
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
CID 133344995
(3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 48931330
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 48931738
(2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 94810988
3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052385
N-[1-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 49430969
N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide
CID 127282369

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (CID 52511508) is (2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is Cc1cc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The InChIKey is KSEJMNLGAYSRFS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N6O/c1-14-13-18(24-19(22-14)16-5-7-21-8-6-16)26-11-9-25(10-12-26)15(2)20(27)23-17-3-4-17/h5-8,13,15,17H,3-4,9-12H2,1-2H3,(H,23,27)/t15-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
(2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 366.47 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 52511508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).