N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide

C13H13Cl2N5O — CID 47061417

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NCCNc2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C13H13Cl2N5O/c1-8-16-3-2-11(20-8)13(21)18-5-4-17-12-10(15)6-9(14)7-19-12/h2-3,6-7H,4-5H2,1H3,(H,17,19)(H,18,21)
InChIKeyITAZRSQXNXQTSB-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.33
Rot. Bonds5

About N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 47061417) has the molecular formula C13H13Cl2N5O and a molecular weight of 326.19 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID47061417
Molecular FormulaC13H13Cl2N5O
Molecular Weight326.19 g/mol
Exact Mass325.05
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NCCNc2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C13H13Cl2N5O/c1-8-16-3-2-11(20-8)13(21)18-5-4-17-12-10(15)6-9(14)7-19-12/h2-3,6-7H,4-5H2,1H3,(H,17,19)(H,18,21)
InChIKeyITAZRSQXNXQTSB-UHFFFAOYSA-N
XLogP2.33
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
CID 47049468
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 86991618
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide
CID 114835711
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78878860
N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110894418
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020440
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78878862
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide
CID 71969785
N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 47255119
(E)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 55735708

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide (CID 47061417) is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide is Cc1nccc(C(=O)NCCNc2ncc(Cl)cc2Cl)n1.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is ITAZRSQXNXQTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5O/c1-8-16-3-2-11(20-8)13(21)18-5-4-17-12-10(15)6-9(14)7-19-12/h2-3,6-7H,4-5H2,1H3,(H,17,19)(H,18,21).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide?
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 326.19 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 47061417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).