2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C21H34N6O2 — CID 46050913

IUPAC2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)N1CCc2nc(N(C)C3CCCCC3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C21H34N6O2/c1-3-22-21(28)27-10-9-18-17(15-27)19(26-11-13-29-14-12-26)24-20(23-18)25(2)16-7-5-4-6-8-16/h16H,3-15H2,1-2H3,(H,22,28)
InChIKeyRZFCPUDWTRBYPD-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.17
Rot. Bonds4

About 2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 46050913) has the molecular formula C21H34N6O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID46050913
Molecular FormulaC21H34N6O2
Molecular Weight402.54 g/mol
Exact Mass402.27
IUPAC Name2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)N1CCc2nc(N(C)C3CCCCC3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C21H34N6O2/c1-3-22-21(28)27-10-9-18-17(15-27)19(26-11-13-29-14-12-26)24-20(23-18)25(2)16-7-5-4-6-8-16/h16H,3-15H2,1-2H3,(H,22,28)
InChIKeyRZFCPUDWTRBYPD-UHFFFAOYSA-N
XLogP2.17
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 71696040
CID 71696040
CID 89752453
CID 89752453
CID 135271014
CID 135271014
CID 135271039
CID 135271039
CID 71696042
CID 71696042
CID 50986271
CID 50986271
CID 73353508
CID 73353508
CID 46050203
CID 46050203
CID 46050226
CID 46050226
CID 50961015
CID 50961015
CID 56871379
CID 56871379
CID 92437544
CID 92437544

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 46050913) is 2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCNC(=O)N1CCc2nc(N(C)C3CCCCC3)nc(N3CCOCC3)c2C1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is RZFCPUDWTRBYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O2/c1-3-22-21(28)27-10-9-18-17(15-27)19(26-11-13-29-14-12-26)24-20(23-18)25(2)16-7-5-4-6-8-16/h16H,3-15H2,1-2H3,(H,22,28).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-ethyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46050913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).