N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide

C17H26N4O2 — CID 124991520

IUPACN-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C[C@H]2CCCN(C3CCOCC3)C2)ncn1
InChIInChI=1S/C17H26N4O2/c1-18-17(22)16-10-14(19-12-20-16)9-13-3-2-6-21(11-13)15-4-7-23-8-5-15/h10,12-13,15H,2-9,11H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyPJYFDWBMIOSYBX-CYBMUJFWSA-N
MW318.42 g/mol
LogP1.27
Rot. Bonds4

About N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide

N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 124991520) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
PubChem CID124991520
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C[C@H]2CCCN(C3CCOCC3)C2)ncn1
InChIInChI=1S/C17H26N4O2/c1-18-17(22)16-10-14(19-12-20-16)9-13-3-2-6-21(11-13)15-4-7-23-8-5-15/h10,12-13,15H,2-9,11H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyPJYFDWBMIOSYBX-CYBMUJFWSA-N
XLogP1.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide (CID 124991520) is N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide is CNC(=O)c1cc(C[C@H]2CCCN(C3CCOCC3)C2)ncn1.
What is the InChIKey of N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is PJYFDWBMIOSYBX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-18-17(22)16-10-14(19-12-20-16)9-13-3-2-6-21(11-13)15-4-7-23-8-5-15/h10,12-13,15H,2-9,11H2,1H3,(H,18,22)/t13-/m1/s1.
What are the key properties of N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 124991520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).