5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C18H24ClN5O2 — CID 47045712

IUPAC5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C18H24ClN5O2/c19-14-11-20-18(24-7-1-2-8-24)22-15(14)16(25)21-13-5-9-23(10-6-13)17(26)12-3-4-12/h11-13H,1-10H2,(H,21,25)
InChIKeySLJHFNKTEMVVGP-UHFFFAOYSA-N
MW377.88 g/mol
LogP1.86
Rot. Bonds4

About 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 47045712) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID47045712
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C18H24ClN5O2/c19-14-11-20-18(24-7-1-2-8-24)22-15(14)16(25)21-13-5-9-23(10-6-13)17(26)12-3-4-12/h11-13H,1-10H2,(H,21,25)
InChIKeySLJHFNKTEMVVGP-UHFFFAOYSA-N
XLogP1.86
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 47045712) is 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is O=C(NC1CCN(C(=O)C2CC2)CC1)c1nc(N2CCCC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is SLJHFNKTEMVVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c19-14-11-20-18(24-7-1-2-8-24)22-15(14)16(25)21-13-5-9-23(10-6-13)17(26)12-3-4-12/h11-13H,1-10H2,(H,21,25).
What are the key properties of 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 47045712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).