N-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide

C16H17BrN4O2 — CID 10738333

IUPACN-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cccnc2NC2CC2)c(Br)n1
InChIInChI=1S/C16H17BrN4O2/c1-21(12-7-8-13(23-2)20-14(12)17)16(22)11-4-3-9-18-15(11)19-10-5-6-10/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)
InChIKeyWPZAKSMOUZXWCZ-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.10
Rot. Bonds5

About N-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide

N-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide (PubChem CID 10738333) has the molecular formula C16H17BrN4O2 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide
PubChem CID10738333
Molecular FormulaC16H17BrN4O2
Molecular Weight377.24 g/mol
Exact Mass376.05
IUPAC NameN-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cccnc2NC2CC2)c(Br)n1
InChIInChI=1S/C16H17BrN4O2/c1-21(12-7-8-13(23-2)20-14(12)17)16(22)11-4-3-9-18-15(11)19-10-5-6-10/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)
InChIKeyWPZAKSMOUZXWCZ-UHFFFAOYSA-N
XLogP3.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 84573642
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928
N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 122441446
methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
CID 103082179
methyl 2-[(1,1-dioxothian-4-yl)amino]pyridine-3-carboxylate
CID 62000677
2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 84574680
methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 84574884
ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate
CID 61044227

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide (CID 10738333) is N-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide is COc1ccc(N(C)C(=O)c2cccnc2NC2CC2)c(Br)n1.
What is the InChIKey of N-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide?
The InChIKey is WPZAKSMOUZXWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O2/c1-21(12-7-8-13(23-2)20-14(12)17)16(22)11-4-3-9-18-15(11)19-10-5-6-10/h3-4,7-10H,5-6H2,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide?
N-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide has a molecular weight of 377.24 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-methoxy-3-pyridinyl)-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 10738333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).