methyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate

C16H19N5O4S — CID 118249316

IUPACmethyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N3CCCC3)c2)ccn1
InChIInChI=1S/C16H19N5O4S/c1-25-16(22)20-14-9-11(4-5-18-14)12-8-13(15(17)19-10-12)26(23,24)21-6-2-3-7-21/h4-5,8-10H,2-3,6-7H2,1H3,(H2,17,19)(H,18,20,22)
InChIKeyRUIXGTBWMXKXSV-UHFFFAOYSA-N
MW377.43 g/mol
LogP1.69
Rot. Bonds4

About methyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate

methyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate (PubChem CID 118249316) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is methyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate
PubChem CID118249316
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC Namemethyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N3CCCC3)c2)ccn1
InChIInChI=1S/C16H19N5O4S/c1-25-16(22)20-14-9-11(4-5-18-14)12-8-13(15(17)19-10-12)26(23,24)21-6-2-3-7-21/h4-5,8-10H,2-3,6-7H2,1H3,(H2,17,19)(H,18,20,22)
InChIKeyRUIXGTBWMXKXSV-UHFFFAOYSA-N
XLogP1.69
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate (CID 118249316) is methyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N3CCCC3)c2)ccn1.
What is the InChIKey of methyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate?
The InChIKey is RUIXGTBWMXKXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4S/c1-25-16(22)20-14-9-11(4-5-18-14)12-8-13(15(17)19-10-12)26(23,24)21-6-2-3-7-21/h4-5,8-10H,2-3,6-7H2,1H3,(H2,17,19)(H,18,20,22).
What are the key properties of methyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate?
methyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate has a molecular weight of 377.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 118249316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).