ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate

C14H14BrN3O2 — CID 113036036

IUPACethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C14H14BrN3O2/c1-2-20-14(19)18-13-7-6-12(9-16-13)17-11-5-3-4-10(15)8-11/h3-9,17H,2H2,1H3,(H,16,18,19)
InChIKeyKYDHADNGMFTNCJ-UHFFFAOYSA-N
MW336.19 g/mol
LogP4.16
Rot. Bonds4

About ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate

ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate (PubChem CID 113036036) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate
PubChem CID113036036
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Nameethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C14H14BrN3O2/c1-2-20-14(19)18-13-7-6-12(9-16-13)17-11-5-3-4-10(15)8-11/h3-9,17H,2H2,1H3,(H,16,18,19)
InChIKeyKYDHADNGMFTNCJ-UHFFFAOYSA-N
XLogP4.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-bromoanilino)-2-pyridinyl]butanamide
CID 113036004
ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate
CID 113036803
ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
CID 113032953
ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
CID 113032674
[[6-[3-(ethoxycarbonylamino)anilino]-3-pyridinyl]amino] propanoate
CID 110177011
ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate
CID 113034594
methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035161
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
CID 113035842
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate
CID 113036336
ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
CID 113032879
ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate
CID 110178368

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate (CID 113036036) is ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2cccc(Br)c2)cn1.
What is the InChIKey of ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate?
The InChIKey is KYDHADNGMFTNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-2-20-14(19)18-13-7-6-12(9-16-13)17-11-5-3-4-10(15)8-11/h3-9,17H,2H2,1H3,(H,16,18,19).
What are the key properties of ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate?
ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate has a molecular weight of 336.19 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113036036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).