N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C20H28N4O2 — CID 60574412

IUPACN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NC(C)CN3CC(C)CC(C)C3)cnc2c1
InChIInChI=1S/C20H28N4O2/c1-13-5-6-24-18(8-13)21-9-17(20(24)26)19(25)22-16(4)12-23-10-14(2)7-15(3)11-23/h5-6,8-9,14-16H,7,10-12H2,1-4H3,(H,22,25)
InChIKeyWKDGDFMPAOMTQV-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.10
Rot. Bonds4

About N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 60574412) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID60574412
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NC(C)CN3CC(C)CC(C)C3)cnc2c1
InChIInChI=1S/C20H28N4O2/c1-13-5-6-24-18(8-13)21-9-17(20(24)26)19(25)22-16(4)12-23-10-14(2)7-15(3)11-23/h5-6,8-9,14-16H,7,10-12H2,1-4H3,(H,22,25)
InChIKeyWKDGDFMPAOMTQV-UHFFFAOYSA-N
XLogP2.10
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 60574412) is N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NC(C)CN3CC(C)CC(C)C3)cnc2c1.
What is the InChIKey of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WKDGDFMPAOMTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13-5-6-24-18(8-13)21-9-17(20(24)26)19(25)22-16(4)12-23-10-14(2)7-15(3)11-23/h5-6,8-9,14-16H,7,10-12H2,1-4H3,(H,22,25).
What are the key properties of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 60574412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).