N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide

C11H14BrN3O — CID 103813939

IUPACN-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1ccc(Br)nc1
InChIInChI=1S/C11H14BrN3O/c12-10-4-3-9(6-14-10)15-11(16)7-13-5-8-1-2-8/h3-4,6,8,13H,1-2,5,7H2,(H,15,16)
InChIKeyZZSJHNDZRNMQKF-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.78
Rot. Bonds5

About N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide

N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide (PubChem CID 103813939) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide
PubChem CID103813939
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1ccc(Br)nc1
InChIInChI=1S/C11H14BrN3O/c12-10-4-3-9(6-14-10)15-11(16)7-13-5-8-1-2-8/h3-4,6,8,13H,1-2,5,7H2,(H,15,16)
InChIKeyZZSJHNDZRNMQKF-UHFFFAOYSA-N
XLogP1.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride
CID 119845923
2-(cyclopropylmethylamino)-N-(6-imidazol-1-yl-3-pyridinyl)acetamide
CID 60867461
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-(4-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133833
2-(cyclopropylmethylamino)-N-pyridin-3-ylacetamide;dihydrochloride
CID 119827153
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034
N-(6-bromo-3-pyridinyl)-2-(oxan-2-yl)acetamide
CID 110614780
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
N-(4-fluorophenyl)-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 63243623
2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride
CID 119878541
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide (CID 103813939) is N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide is O=C(CNCC1CC1)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide?
The InChIKey is ZZSJHNDZRNMQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-10-4-3-9(6-14-10)15-11(16)7-13-5-8-1-2-8/h3-4,6,8,13H,1-2,5,7H2,(H,15,16).
What are the key properties of N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide?
N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide has a molecular weight of 284.16 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 103813939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).