N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide

C19H24N4O2 — CID 138016961

IUPACN-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide
SMILESCN1CCC(CCO)(NC(=O)c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H24N4O2/c1-23-12-8-19(9-13-23,10-14-24)22-18(25)16-7-11-20-17(21-16)15-5-3-2-4-6-15/h2-7,11,24H,8-10,12-14H2,1H3,(H,22,25)
InChIKeyBFHWTNHFCOFRMT-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.72
Rot. Bonds5

About N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide

N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide (PubChem CID 138016961) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide
PubChem CID138016961
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide
SMILESCN1CCC(CCO)(NC(=O)c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H24N4O2/c1-23-12-8-19(9-13-23,10-14-24)22-18(25)16-7-11-20-17(21-16)15-5-3-2-4-6-15/h2-7,11,24H,8-10,12-14H2,1H3,(H,22,25)
InChIKeyBFHWTNHFCOFRMT-UHFFFAOYSA-N
XLogP1.72
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide (CID 138016961) is N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide is CN1CCC(CCO)(NC(=O)c2ccnc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is BFHWTNHFCOFRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-23-12-8-19(9-13-23,10-14-24)22-18(25)16-7-11-20-17(21-16)15-5-3-2-4-6-15/h2-7,11,24H,8-10,12-14H2,1H3,(H,22,25).
What are the key properties of N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide?
N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 138016961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).