N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide

C17H21ClN6O3S — CID 121252274

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide
SMILESCC1CN(c2nc(Cl)ncc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C17H21ClN6O3S/c1-10-7-17(2,3)24(9-10)14-11(8-20-16(18)22-14)15(25)23-28(26,27)13-6-4-5-12(19)21-13/h4-6,8,10H,7,9H2,1-3H3,(H2,19,21)(H,23,25)
InChIKeyXNCBVHBCVQIBKP-UHFFFAOYSA-N
MW424.91 g/mol
LogP1.85
Rot. Bonds4

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 121252274) has the molecular formula C17H21ClN6O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide
PubChem CID121252274
Molecular FormulaC17H21ClN6O3S
Molecular Weight424.91 g/mol
Exact Mass424.11
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide
SMILESCC1CN(c2nc(Cl)ncc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C17H21ClN6O3S/c1-10-7-17(2,3)24(9-10)14-11(8-20-16(18)22-14)15(25)23-28(26,27)13-6-4-5-12(19)21-13/h4-6,8,10H,7,9H2,1-3H3,(H2,19,21)(H,23,25)
InChIKeyXNCBVHBCVQIBKP-UHFFFAOYSA-N
XLogP1.85
TPSA131.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide (CID 121252274) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide is CC1CN(c2nc(Cl)ncc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is XNCBVHBCVQIBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O3S/c1-10-7-17(2,3)24(9-10)14-11(8-20-16(18)22-14)15(25)23-28(26,27)13-6-4-5-12(19)21-13/h4-6,8,10H,7,9H2,1-3H3,(H2,19,21)(H,23,25).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 424.91 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 121252274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).