9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide

C23H27N5O3 — CID 118709077

IUPAC9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(Nc1ccccc1)c1cc(C(=O)N(C)C)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C23H27N5O3/c1-16(24-18-7-5-4-6-8-18)19-13-17(23(30)26(2)3)15-28-21(29)14-20(25-22(19)28)27-9-11-31-12-10-27/h4-8,13-16,24H,9-12H2,1-3H3
InChIKeyNJQQDNUWDJNASH-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.41
Rot. Bonds5

About 9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide

9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (PubChem CID 118709077) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
PubChem CID118709077
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(Nc1ccccc1)c1cc(C(=O)N(C)C)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C23H27N5O3/c1-16(24-18-7-5-4-6-8-18)19-13-17(23(30)26(2)3)15-28-21(29)14-20(25-22(19)28)27-9-11-31-12-10-27/h4-8,13-16,24H,9-12H2,1-3H3
InChIKeyNJQQDNUWDJNASH-UHFFFAOYSA-N
XLogP2.41
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of 9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (CID 118709077) is 9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for 9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is CC(Nc1ccccc1)c1cc(C(=O)N(C)C)cn2c(=O)cc(N3CCOCC3)nc12.
What is the InChIKey of 9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is NJQQDNUWDJNASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-16(24-18-7-5-4-6-8-18)19-13-17(23(30)26(2)3)15-28-21(29)14-20(25-22(19)28)27-9-11-31-12-10-27/h4-8,13-16,24H,9-12H2,1-3H3.
What are the key properties of 9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-anilinoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 118709077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).