3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide

C20H24N4O3S — CID 10250394

IUPAC3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide
SMILESO=C(Nc1ncccn1)C(CC1CCCC1)c1ccc(S(=O)(=O)C2CC2)nc1
InChIInChI=1S/C20H24N4O3S/c25-19(24-20-21-10-3-11-22-20)17(12-14-4-1-2-5-14)15-6-9-18(23-13-15)28(26,27)16-7-8-16/h3,6,9-11,13-14,16-17H,1-2,4-5,7-8,12H2,(H,21,22,24,25)
InChIKeyPPHIKTMVBXMFLW-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.11
Rot. Bonds7

About 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide

3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide (PubChem CID 10250394) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide
PubChem CID10250394
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide
SMILESO=C(Nc1ncccn1)C(CC1CCCC1)c1ccc(S(=O)(=O)C2CC2)nc1
InChIInChI=1S/C20H24N4O3S/c25-19(24-20-21-10-3-11-22-20)17(12-14-4-1-2-5-14)15-6-9-18(23-13-15)28(26,27)16-7-8-16/h3,6,9-11,13-14,16-17H,1-2,4-5,7-8,12H2,(H,21,22,24,25)
InChIKeyPPHIKTMVBXMFLW-UHFFFAOYSA-N
XLogP3.11
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide (CID 10250394) is 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide is O=C(Nc1ncccn1)C(CC1CCCC1)c1ccc(S(=O)(=O)C2CC2)nc1.
What is the InChIKey of 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide?
The InChIKey is PPHIKTMVBXMFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c25-19(24-20-21-10-3-11-22-20)17(12-14-4-1-2-5-14)15-6-9-18(23-13-15)28(26,27)16-7-8-16/h3,6,9-11,13-14,16-17H,1-2,4-5,7-8,12H2,(H,21,22,24,25).
What are the key properties of 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide?
3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide has a molecular weight of 400.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 10250394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).