N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide

C20H27N5O2 — CID 95204100

IUPACN-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)NCc1cccnc1N1CCC[C@@H](O)C1
InChIInChI=1S/C20H27N5O2/c1-13(2)18-22-11-17(14(3)24-18)20(27)23-10-15-6-4-8-21-19(15)25-9-5-7-16(26)12-25/h4,6,8,11,13,16,26H,5,7,9-10,12H2,1-3H3,(H,23,27)/t16-/m1/s1
InChIKeyPWUNYGALAXUOHX-MRXNPFEDSA-N
MW369.47 g/mol
LogP2.19
Rot. Bonds5

About N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide

N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 95204100) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID95204100
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)NCc1cccnc1N1CCC[C@@H](O)C1
InChIInChI=1S/C20H27N5O2/c1-13(2)18-22-11-17(14(3)24-18)20(27)23-10-15-6-4-8-21-19(15)25-9-5-7-16(26)12-25/h4,6,8,11,13,16,26H,5,7,9-10,12H2,1-3H3,(H,23,27)/t16-/m1/s1
InChIKeyPWUNYGALAXUOHX-MRXNPFEDSA-N
XLogP2.19
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 56750620
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 45184288
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95227914
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 45252804
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 42147241
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 95191432
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 45232066
3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 45206257
1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol
CID 56738805
N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 53080214
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide
CID 56745363
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 42305622

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide (CID 95204100) is N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide is Cc1nc(C(C)C)ncc1C(=O)NCc1cccnc1N1CCC[C@@H](O)C1.
What is the InChIKey of N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is PWUNYGALAXUOHX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13(2)18-22-11-17(14(3)24-18)20(27)23-10-15-6-4-8-21-19(15)25-9-5-7-16(26)12-25/h4,6,8,11,13,16,26H,5,7,9-10,12H2,1-3H3,(H,23,27)/t16-/m1/s1.
What are the key properties of N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 95204100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).