(3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide

C17H24ClN5O2 — CID 88574200

IUPAC(3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCN(C2CCN(C(=O)c3ncnc(Cl)c3C)CC2)C1
InChIInChI=1S/C17H24ClN5O2/c1-11-14(20-10-21-15(11)18)17(25)22-7-4-13(5-8-22)23-6-3-12(9-23)16(24)19-2/h10,12-13H,3-9H2,1-2H3,(H,19,24)/t12-/m1/s1
InChIKeyQXZFICHPWCOKMS-GFCCVEGCSA-N
MW365.87 g/mol
LogP1.11
Rot. Bonds3

About (3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide

(3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 88574200) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is (3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
PubChem CID88574200
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC Name(3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCN(C2CCN(C(=O)c3ncnc(Cl)c3C)CC2)C1
InChIInChI=1S/C17H24ClN5O2/c1-11-14(20-10-21-15(11)18)17(25)22-7-4-13(5-8-22)23-6-3-12(9-23)16(24)19-2/h10,12-13H,3-9H2,1-2H3,(H,19,24)/t12-/m1/s1
InChIKeyQXZFICHPWCOKMS-GFCCVEGCSA-N
XLogP1.11
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide (CID 88574200) is (3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CCN(C2CCN(C(=O)c3ncnc(Cl)c3C)CC2)C1.
What is the InChIKey of (3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is QXZFICHPWCOKMS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24ClN5O2/c1-11-14(20-10-21-15(11)18)17(25)22-7-4-13(5-8-22)23-6-3-12(9-23)16(24)19-2/h10,12-13H,3-9H2,1-2H3,(H,19,24)/t12-/m1/s1.
What are the key properties of (3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide?
(3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 365.87 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 88574200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).