N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide

C18H23N5O2 — CID 110123702

IUPACN-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(C)CC2(O)CCCN(c3ncccn3)C2)n1
InChIInChI=1S/C18H23N5O2/c1-14-6-3-7-15(21-14)16(24)22(2)12-18(25)8-4-11-23(13-18)17-19-9-5-10-20-17/h3,5-7,9-10,25H,4,8,11-13H2,1-2H3
InChIKeyFEDBPKITZBNYJL-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.28
Rot. Bonds4

About N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide

N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 110123702) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID110123702
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(C)CC2(O)CCCN(c3ncccn3)C2)n1
InChIInChI=1S/C18H23N5O2/c1-14-6-3-7-15(21-14)16(24)22(2)12-18(25)8-4-11-23(13-18)17-19-9-5-10-20-17/h3,5-7,9-10,25H,4,8,11-13H2,1-2H3
InChIKeyFEDBPKITZBNYJL-UHFFFAOYSA-N
XLogP1.28
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide (CID 110123702) is N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide is Cc1cccc(C(=O)N(C)CC2(O)CCCN(c3ncccn3)C2)n1.
What is the InChIKey of N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is FEDBPKITZBNYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14-6-3-7-15(21-14)16(24)22(2)12-18(25)8-4-11-23(13-18)17-19-9-5-10-20-17/h3,5-7,9-10,25H,4,8,11-13H2,1-2H3.
What are the key properties of N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide?
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 110123702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).