N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide

C16H22N6O — CID 56714156

IUPACN-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCc1[nH]cnc1CN1CCCC(CNC(=O)c2ccncn2)C1
InChIInChI=1S/C16H22N6O/c1-12-15(21-11-19-12)9-22-6-2-3-13(8-22)7-18-16(23)14-4-5-17-10-20-14/h4-5,10-11,13H,2-3,6-9H2,1H3,(H,18,23)(H,19,21)
InChIKeyTZHUONBBBTXJAA-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.15
Rot. Bonds5

About N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide

N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 56714156) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
PubChem CID56714156
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCc1[nH]cnc1CN1CCCC(CNC(=O)c2ccncn2)C1
InChIInChI=1S/C16H22N6O/c1-12-15(21-11-19-12)9-22-6-2-3-13(8-22)7-18-16(23)14-4-5-17-10-20-14/h4-5,10-11,13H,2-3,6-9H2,1H3,(H,18,23)(H,19,21)
InChIKeyTZHUONBBBTXJAA-UHFFFAOYSA-N
XLogP1.15
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide (CID 56714156) is N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide is Cc1[nH]cnc1CN1CCCC(CNC(=O)c2ccncn2)C1.
What is the InChIKey of N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is TZHUONBBBTXJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-15(21-11-19-12)9-22-6-2-3-13(8-22)7-18-16(23)14-4-5-17-10-20-14/h4-5,10-11,13H,2-3,6-9H2,1H3,(H,18,23)(H,19,21).
What are the key properties of N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 56714156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).