1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide

C16H23N7O2 — CID 162638351

IUPAC1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NC)c1Nc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C16H23N7O2/c1-3-23-14(12(9-19-23)15(25)17-2)21-16-18-7-6-13(20-16)22-8-4-5-11(24)10-22/h6-7,9,11,24H,3-5,8,10H2,1-2H3,(H,17,25)(H,18,20,21)
InChIKeyBEYMIZSYNHNWJZ-UHFFFAOYSA-N
MW345.41 g/mol
LogP0.76
Rot. Bonds5

About 1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide

1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide (PubChem CID 162638351) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide
PubChem CID162638351
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NC)c1Nc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C16H23N7O2/c1-3-23-14(12(9-19-23)15(25)17-2)21-16-18-7-6-13(20-16)22-8-4-5-11(24)10-22/h6-7,9,11,24H,3-5,8,10H2,1-2H3,(H,17,25)(H,18,20,21)
InChIKeyBEYMIZSYNHNWJZ-UHFFFAOYSA-N
XLogP0.76
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
N-[1-ethyl-4-(methylcarbamoyl)pyrazol-5-yl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 155909318
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50955286
1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 162628382
1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 135088444
methyl 6-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 162633829
(3S)-1-[2-[(2,3-difluoro-4-methylphenyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95122099
3-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-5-methyl-1H-pyrazole-4-carbonitrile
CID 164689364
1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50958722
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 134703687
1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
CID 134707232
1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 134712116

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide (CID 162638351) is 1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide is CCn1ncc(C(=O)NC)c1Nc1nccc(N2CCCC(O)C2)n1.
What is the InChIKey of 1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide?
The InChIKey is BEYMIZSYNHNWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-3-23-14(12(9-19-23)15(25)17-2)21-16-18-7-6-13(20-16)22-8-4-5-11(24)10-22/h6-7,9,11,24H,3-5,8,10H2,1-2H3,(H,17,25)(H,18,20,21).
What are the key properties of 1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide?
1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 162638351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).