2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide

C13H16BrN3O — CID 114193974

IUPAC2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)N(CC2CC2)C2CC2)c(Br)cn1
InChIInChI=1S/C13H16BrN3O/c14-11-6-16-12(15)5-10(11)13(18)17(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2,(H2,15,16)
InChIKeyRPDAQCKZRZORMP-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.44
Rot. Bonds4

About 2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide

2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide (PubChem CID 114193974) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
PubChem CID114193974
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)N(CC2CC2)C2CC2)c(Br)cn1
InChIInChI=1S/C13H16BrN3O/c14-11-6-16-12(15)5-10(11)13(18)17(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2,(H2,15,16)
InChIKeyRPDAQCKZRZORMP-UHFFFAOYSA-N
XLogP2.44
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide
CID 113364301
2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
CID 79723311
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
CID 102705640
2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 114194006
2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
CID 114193960
2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114922544
2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 81111905
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide
CID 113386511
2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 114193918
N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide
CID 107723158
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617173
2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114193980

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide (CID 114193974) is 2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide is Nc1cc(C(=O)N(CC2CC2)C2CC2)c(Br)cn1.
What is the InChIKey of 2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide?
The InChIKey is RPDAQCKZRZORMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c14-11-6-16-12(15)5-10(11)13(18)17(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide?
2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide has a molecular weight of 310.19 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114193974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).