N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H21N3O2 — CID 42936055

IUPACN-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H21N3O2/c1-11(2)7-8-12(3)18-15(20)13-10-17-14-6-4-5-9-19(14)16(13)21/h4-6,9-12H,7-8H2,1-3H3,(H,18,20)
InChIKeyPYYVHDXJIDGJDP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.25
Rot. Bonds5

About N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 42936055) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID42936055
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H21N3O2/c1-11(2)7-8-12(3)18-15(20)13-10-17-14-6-4-5-9-19(14)16(13)21/h4-6,9-12H,7-8H2,1-3H3,(H,18,20)
InChIKeyPYYVHDXJIDGJDP-UHFFFAOYSA-N
XLogP2.25
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135680959
CID 135680959
CID 3079303
CID 3079303
CID 135458476
CID 135458476
CID 135458497
CID 135458497
CID 135853274
CID 135853274
CID 135853278
CID 135853278
CID 135853285
CID 135853285
CID 135853273
CID 135853273
CID 135853283
CID 135853283
CID 3079272
CID 3079272
CID 3079273
CID 3079273
CID 3079274
CID 3079274

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 42936055) is N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)CCC(C)NC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is PYYVHDXJIDGJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)7-8-12(3)18-15(20)13-10-17-14-6-4-5-9-19(14)16(13)21/h4-6,9-12H,7-8H2,1-3H3,(H,18,20).
What are the key properties of N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 42936055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).