N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide

C19H25Cl2N5O3 — CID 26205838

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide
SMILESCCCCCN(C(=O)c1nc(Cl)ccc1Cl)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H25Cl2N5O3/c1-3-5-7-11-25(18(28)14-12(20)8-9-13(21)23-14)15-16(22)26(10-6-4-2)19(29)24-17(15)27/h8-9H,3-7,10-11,22H2,1-2H3,(H,24,27,29)
InChIKeyANCCRMZJMSTZEE-UHFFFAOYSA-N
MW442.35 g/mol
LogP3.46
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide (PubChem CID 26205838) has the molecular formula C19H25Cl2N5O3 and a molecular weight of 442.35 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide
PubChem CID26205838
Molecular FormulaC19H25Cl2N5O3
Molecular Weight442.35 g/mol
Exact Mass441.13
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide
SMILESCCCCCN(C(=O)c1nc(Cl)ccc1Cl)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H25Cl2N5O3/c1-3-5-7-11-25(18(28)14-12(20)8-9-13(21)23-14)15-16(22)26(10-6-4-2)19(29)24-17(15)27/h8-9H,3-7,10-11,22H2,1-2H3,(H,24,27,29)
InChIKeyANCCRMZJMSTZEE-UHFFFAOYSA-N
XLogP3.46
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide
CID 55478385
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-pentylacetamide
CID 24562984
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 29309904
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-benzofuran-2-carboxamide
CID 8838834
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide
CID 30969804
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-2-(trifluoromethyl)benzamide
CID 26205785
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 55448114
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-bromo-5-methoxy-N-pentylbenzamide
CID 26205740
butyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 35539392
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-6-methylpyridine-3-carboxamide
CID 30289922
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentylcyclopentanecarboxamide
CID 8838842

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide (CID 26205838) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide is CCCCCN(C(=O)c1nc(Cl)ccc1Cl)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide?
The InChIKey is ANCCRMZJMSTZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N5O3/c1-3-5-7-11-25(18(28)14-12(20)8-9-13(21)23-14)15-16(22)26(10-6-4-2)19(29)24-17(15)27/h8-9H,3-7,10-11,22H2,1-2H3,(H,24,27,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide has a molecular weight of 442.35 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 26205838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).