N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C11H14N4O — CID 121183340

IUPACN-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESC=CCNC(=O)N1CCc2ncncc2C1
InChIInChI=1S/C11H14N4O/c1-2-4-13-11(16)15-5-3-10-9(7-15)6-12-8-14-10/h2,6,8H,1,3-5,7H2,(H,13,16)
InChIKeyLRTSRJIVZJYLLP-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.73
Rot. Bonds2

About N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 121183340) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID121183340
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESC=CCNC(=O)N1CCc2ncncc2C1
InChIInChI=1S/C11H14N4O/c1-2-4-13-11(16)15-5-3-10-9(7-15)6-12-8-14-10/h2,6,8H,1,3-5,7H2,(H,13,16)
InChIKeyLRTSRJIVZJYLLP-UHFFFAOYSA-N
XLogP0.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)but-2-en-1-one
CID 121145052
N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzamide
CID 90620998
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone
CID 90620861
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 166251761
2-cyclohexyl-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 90621003
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 167750936
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone
CID 90620866
(4-bromophenyl)-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 90621009
2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 90620885
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-5-phenylpentane-1,5-dione
CID 121145050
6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126687707
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone
CID 90620979

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 121183340) is N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is C=CCNC(=O)N1CCc2ncncc2C1.
What is the InChIKey of N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is LRTSRJIVZJYLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-4-13-11(16)15-5-3-10-9(7-15)6-12-8-14-10/h2,6,8H,1,3-5,7H2,(H,13,16).
What are the key properties of N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 121183340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).