N-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide

C26H34N6O3 — CID 118709718

IUPACN-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCc1ccc(NC(C)c2cc(C(=O)NCCN(C)C)cn3c(=O)cc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C26H34N6O3/c1-18-5-7-21(8-6-18)28-19(2)22-15-20(26(34)27-9-10-30(3)4)17-32-24(33)16-23(29-25(22)32)31-11-13-35-14-12-31/h5-8,15-17,19,28H,9-14H2,1-4H3,(H,27,34)
InChIKeyZHDOSMLAODTYKW-UHFFFAOYSA-N
MW478.60 g/mol
LogP2.30
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide

N-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (PubChem CID 118709718) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
PubChem CID118709718
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC NameN-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCc1ccc(NC(C)c2cc(C(=O)NCCN(C)C)cn3c(=O)cc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C26H34N6O3/c1-18-5-7-21(8-6-18)28-19(2)22-15-20(26(34)27-9-10-30(3)4)17-32-24(33)16-23(29-25(22)32)31-11-13-35-14-12-31/h5-8,15-17,19,28H,9-14H2,1-4H3,(H,27,34)
InChIKeyZHDOSMLAODTYKW-UHFFFAOYSA-N
XLogP2.30
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (CID 118709718) is N-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is Cc1ccc(NC(C)c2cc(C(=O)NCCN(C)C)cn3c(=O)cc(N4CCOCC4)nc23)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is ZHDOSMLAODTYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-18-5-7-21(8-6-18)28-19(2)22-15-20(26(34)27-9-10-30(3)4)17-32-24(33)16-23(29-25(22)32)31-11-13-35-14-12-31/h5-8,15-17,19,28H,9-14H2,1-4H3,(H,27,34).
What are the key properties of N-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
N-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 118709718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).