3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide

C19H25N5O3 — CID 44782915

IUPAC3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2ncc(NC(=O)C3CCCC3)c(=O)n2c1
InChIInChI=1S/C19H25N5O3/c1-23(2)10-9-20-17(25)14-7-8-16-21-11-15(19(27)24(16)12-14)22-18(26)13-5-3-4-6-13/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyZNUSFNXMSKMNKR-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.11
Rot. Bonds6

About 3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide

3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (PubChem CID 44782915) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
PubChem CID44782915
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2ncc(NC(=O)C3CCCC3)c(=O)n2c1
InChIInChI=1S/C19H25N5O3/c1-23(2)10-9-20-17(25)14-7-8-16-21-11-15(19(27)24(16)12-14)22-18(26)13-5-3-4-6-13/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyZNUSFNXMSKMNKR-UHFFFAOYSA-N
XLogP1.11
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of 3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (CID 44782915) is 3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for 3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is CN(C)CCNC(=O)c1ccc2ncc(NC(=O)C3CCCC3)c(=O)n2c1.
What is the InChIKey of 3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is ZNUSFNXMSKMNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-23(2)10-9-20-17(25)14-7-8-16-21-11-15(19(27)24(16)12-14)22-18(26)13-5-3-4-6-13/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,20,25)(H,22,26).
What are the key properties of 3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 44782915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).