N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide

C16H22BrN3O3 — CID 90214911

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cc(OCC2CC2)c(Br)cn1)C(N)=O
InChIInChI=1S/C16H22BrN3O3/c1-9(2)5-12(15(18)21)20-16(22)13-6-14(11(17)7-19-13)23-8-10-3-4-10/h6-7,9-10,12H,3-5,8H2,1-2H3,(H2,18,21)(H,20,22)/t12-/m0/s1
InChIKeyYIINLUUQZWSARU-LBPRGKRZSA-N
MW384.27 g/mol
LogP2.26
Rot. Bonds8

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide (PubChem CID 90214911) has the molecular formula C16H22BrN3O3 and a molecular weight of 384.27 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide
PubChem CID90214911
Molecular FormulaC16H22BrN3O3
Molecular Weight384.27 g/mol
Exact Mass383.08
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cc(OCC2CC2)c(Br)cn1)C(N)=O
InChIInChI=1S/C16H22BrN3O3/c1-9(2)5-12(15(18)21)20-16(22)13-6-14(11(17)7-19-13)23-8-10-3-4-10/h6-7,9-10,12H,3-5,8H2,1-2H3,(H2,18,21)(H,20,22)/t12-/m0/s1
InChIKeyYIINLUUQZWSARU-LBPRGKRZSA-N
XLogP2.26
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide (CID 90214911) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide is CC(C)C[C@H](NC(=O)c1cc(OCC2CC2)c(Br)cn1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide?
The InChIKey is YIINLUUQZWSARU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22BrN3O3/c1-9(2)5-12(15(18)21)20-16(22)13-6-14(11(17)7-19-13)23-8-10-3-4-10/h6-7,9-10,12H,3-5,8H2,1-2H3,(H2,18,21)(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide has a molecular weight of 384.27 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-bromo-4-(cyclopropylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 90214911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).