N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide

C17H21Cl2N5O3 — CID 4796613

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide
SMILESCCCCN(C(=O)c1cnc(Cl)c(Cl)c1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C17H21Cl2N5O3/c1-3-5-7-23(16(26)10-8-11(18)13(19)21-9-10)12-14(20)24(6-4-2)17(27)22-15(12)25/h8-9H,3-7,20H2,1-2H3,(H,22,25,27)
InChIKeyKEWPKFQERWEMAC-UHFFFAOYSA-N
MW414.29 g/mol
LogP2.68
Rot. Bonds7

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide (PubChem CID 4796613) has the molecular formula C17H21Cl2N5O3 and a molecular weight of 414.29 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide
PubChem CID4796613
Molecular FormulaC17H21Cl2N5O3
Molecular Weight414.29 g/mol
Exact Mass413.10
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide
SMILESCCCCN(C(=O)c1cnc(Cl)c(Cl)c1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C17H21Cl2N5O3/c1-3-5-7-23(16(26)10-8-11(18)13(19)21-9-10)12-14(20)24(6-4-2)17(27)22-15(12)25/h8-9H,3-7,20H2,1-2H3,(H,22,25,27)
InChIKeyKEWPKFQERWEMAC-UHFFFAOYSA-N
XLogP2.68
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide
CID 16550113
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CID 30289922
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
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CID 9438137
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide
CID 25102512
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5-dimethylthiophene-2-carboxamide
CID 31522940
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2651030
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide (CID 4796613) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide is CCCCN(C(=O)c1cnc(Cl)c(Cl)c1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide?
The InChIKey is KEWPKFQERWEMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5O3/c1-3-5-7-23(16(26)10-8-11(18)13(19)21-9-10)12-14(20)24(6-4-2)17(27)22-15(12)25/h8-9H,3-7,20H2,1-2H3,(H,22,25,27).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide has a molecular weight of 414.29 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 4796613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).