1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide

C16H16BrClN4O — CID 67541758

IUPAC1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(Nc3ccc(Cl)cc3Br)cn2)CC1
InChIInChI=1S/C16H16BrClN4O/c17-13-7-10(18)1-4-14(13)22-12-3-2-11(20-9-12)8-21-15(23)16(19)5-6-16/h1-4,7,9,22H,5-6,8,19H2,(H,21,23)
InChIKeyGRFCISFPKJVDRA-UHFFFAOYSA-N
MW395.69 g/mol
LogP3.35
Rot. Bonds5

About 1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 67541758) has the molecular formula C16H16BrClN4O and a molecular weight of 395.69 g/mol. Its IUPAC name is 1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide
PubChem CID67541758
Molecular FormulaC16H16BrClN4O
Molecular Weight395.69 g/mol
Exact Mass394.02
IUPAC Name1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(Nc3ccc(Cl)cc3Br)cn2)CC1
InChIInChI=1S/C16H16BrClN4O/c17-13-7-10(18)1-4-14(13)22-12-3-2-11(20-9-12)8-21-15(23)16(19)5-6-16/h1-4,7,9,22H,5-6,8,19H2,(H,21,23)
InChIKeyGRFCISFPKJVDRA-UHFFFAOYSA-N
XLogP3.35
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.69
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 59496228
1-amino-N-[[3-chloro-5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 59496500
N-[1-[[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide
CID 46899050
1-amino-N-[(5-amino-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 67543179
N-[1-[[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-2-oxo-1H-pyrimidine-5-carboxamide
CID 46898150
N-[[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-(2-ethylpyrimidin-5-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 153161918
N-[[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(6-propyl-3-pyridinyl)ethyl]cyclopropane-1-carboxamide
CID 161417053
5-amino-N-[(3S)-3-[[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]oxolan-3-yl]pyridine-3-carboxamide
CID 59496302
1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 67542008
(2-ethoxypyrimidin-5-yl) N-[1-[[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]cyclopropyl]carbamate
CID 89497019
(2-oxo-1H-pyrimidin-5-yl) N-[1-[[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]cyclopropyl]carbamate
CID 89497250
1-[2-(5-chloro-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 153025765

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 67541758) is 1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide is NC1(C(=O)NCc2ccc(Nc3ccc(Cl)cc3Br)cn2)CC1.
What is the InChIKey of 1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is GRFCISFPKJVDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN4O/c17-13-7-10(18)1-4-14(13)22-12-3-2-11(20-9-12)8-21-15(23)16(19)5-6-16/h1-4,7,9,22H,5-6,8,19H2,(H,21,23).
What are the key properties of 1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 395.69 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67541758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).