1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide

C17H24ClN5O — CID 133422009

IUPAC1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCN(c2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C17H24ClN5O/c18-14-10-15(21-17(20-14)11-3-4-11)22-8-5-12(6-9-22)23-7-1-2-13(23)16(19)24/h10-13H,1-9H2,(H2,19,24)
InChIKeyHBJGFJRAASWZIE-UHFFFAOYSA-N
MW349.87 g/mol
LogP1.93
Rot. Bonds4

About 1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide

1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 133422009) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID133422009
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCN(c2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C17H24ClN5O/c18-14-10-15(21-17(20-14)11-3-4-11)22-8-5-12(6-9-22)23-7-1-2-13(23)16(19)24/h10-13H,1-9H2,(H2,19,24)
InChIKeyHBJGFJRAASWZIE-UHFFFAOYSA-N
XLogP1.93
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 129380887
1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422017
1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80956973
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
CID 80948108
4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 121200880
4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 80950703
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80947338
methyl 2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444450
2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 133434322
1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133421983
1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 54592642
[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80954082

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 133422009) is 1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C1CCN(c2cc(Cl)nc(C3CC3)n2)CC1.
What is the InChIKey of 1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is HBJGFJRAASWZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O/c18-14-10-15(21-17(20-14)11-3-4-11)22-8-5-12(6-9-22)23-7-1-2-13(23)16(19)24/h10-13H,1-9H2,(H2,19,24).
What are the key properties of 1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 349.87 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 133422009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).