5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

C16H23Cl2N5O3 — CID 119532741

IUPAC5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1cc(C)c2c(=O)[nH]c(=O)[nH]c2n1)C1CCNC1.Cl.Cl
InChIInChI=1S/C16H21N5O3.2ClH/c1-3-6-21(10-4-5-17-8-10)15(23)11-7-9(2)12-13(18-11)19-16(24)20-14(12)22;;/h7,10,17H,3-6,8H2,1-2H3,(H2,18,19,20,22,24);2*1H
InChIKeyAYXRAWKEDIGLPO-UHFFFAOYSA-N
MW404.30 g/mol
LogP0.98
Rot. Bonds4

About 5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (PubChem CID 119532741) has the molecular formula C16H23Cl2N5O3 and a molecular weight of 404.30 g/mol. Its IUPAC name is 5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
PubChem CID119532741
Molecular FormulaC16H23Cl2N5O3
Molecular Weight404.30 g/mol
Exact Mass403.12
IUPAC Name5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1cc(C)c2c(=O)[nH]c(=O)[nH]c2n1)C1CCNC1.Cl.Cl
InChIInChI=1S/C16H21N5O3.2ClH/c1-3-6-21(10-4-5-17-8-10)15(23)11-7-9(2)12-13(18-11)19-16(24)20-14(12)22;;/h7,10,17H,3-6,8H2,1-2H3,(H2,18,19,20,22,24);2*1H
InChIKeyAYXRAWKEDIGLPO-UHFFFAOYSA-N
XLogP0.98
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride with MolForge

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Related Compounds

5-methyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 119825932
3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 167918992
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
4-methyl-6-oxo-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 124612474
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The IUPAC name of 5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (CID 119532741) is 5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.
What is the SMILES notation for 5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The canonical SMILES for 5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is CCCN(C(=O)c1cc(C)c2c(=O)[nH]c(=O)[nH]c2n1)C1CCNC1.Cl.Cl.
What is the InChIKey of 5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The InChIKey is AYXRAWKEDIGLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3.2ClH/c1-3-6-21(10-4-5-17-8-10)15(23)11-7-9(2)12-13(18-11)19-16(24)20-14(12)22;;/h7,10,17H,3-6,8H2,1-2H3,(H2,18,19,20,22,24);2*1H.
What are the key properties of 5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride has a molecular weight of 404.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is sourced from PubChem (CID 119532741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).