1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide

C17H21N5O4 — CID 46552138

IUPAC1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C17H21N5O4/c1-3-6-18-14(23)9(2)20-15(24)10-7-12-13(19-8-10)22(11-4-5-11)17(26)21-16(12)25/h7-9,11H,3-6H2,1-2H3,(H,18,23)(H,20,24)(H,21,25,26)
InChIKeyBXHMASFHKQUFRI-UHFFFAOYSA-N
MW359.39 g/mol
LogP0.06
Rot. Bonds6

About 1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide

1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46552138) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID46552138
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C17H21N5O4/c1-3-6-18-14(23)9(2)20-15(24)10-7-12-13(19-8-10)22(11-4-5-11)17(26)21-16(12)25/h7-9,11H,3-6H2,1-2H3,(H,18,23)(H,20,24)(H,21,25,26)
InChIKeyBXHMASFHKQUFRI-UHFFFAOYSA-N
XLogP0.06
TPSA125.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 50922681
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N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040782
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CID 16785637
1H-Pyrido[2,3-d]pyrimidine-2,4-dione
CID 270260
6-amino-1,3-dimethyl-1H,2H,3H,4H-pyrido(2,3-d)pyrimidine-2,4-dione
CID 8934584
3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
CID 4324586
11-Ethyl-5-methyl-2-[(1E)-prop-1-en-1-ylamino]-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one
CID 5327610

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 46552138) is 1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide is CCCNC(=O)C(C)NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BXHMASFHKQUFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-3-6-18-14(23)9(2)20-15(24)10-7-12-13(19-8-10)22(11-4-5-11)17(26)21-16(12)25/h7-9,11H,3-6H2,1-2H3,(H,18,23)(H,20,24)(H,21,25,26).
What are the key properties of 1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide?
1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46552138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).