(3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C19H29N5O2 — CID 72922502

IUPAC(3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(CCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCCC3)C2)n1
InChIInChI=1S/C19H29N5O2/c1-13-9-14(2)23-17(22-13)5-6-21-18(25)15-10-16(12-20-11-15)19(26)24-7-3-4-8-24/h9,15-16,20H,3-8,10-12H2,1-2H3,(H,21,25)/t15-,16+/m1/s1
InChIKeyYZVUNWYITZXZNQ-CVEARBPZSA-N
MW359.47 g/mol
LogP0.60
Rot. Bonds5

About (3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

(3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 72922502) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID72922502
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(CCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCCC3)C2)n1
InChIInChI=1S/C19H29N5O2/c1-13-9-14(2)23-17(22-13)5-6-21-18(25)15-10-16(12-20-11-15)19(26)24-7-3-4-8-24/h9,15-16,20H,3-8,10-12H2,1-2H3,(H,21,25)/t15-,16+/m1/s1
InChIKeyYZVUNWYITZXZNQ-CVEARBPZSA-N
XLogP0.60
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 72922502) is (3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is Cc1cc(C)nc(CCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCCC3)C2)n1.
What is the InChIKey of (3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is YZVUNWYITZXZNQ-CVEARBPZSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-13-9-14(2)23-17(22-13)5-6-21-18(25)15-10-16(12-20-11-15)19(26)24-7-3-4-8-24/h9,15-16,20H,3-8,10-12H2,1-2H3,(H,21,25)/t15-,16+/m1/s1.
What are the key properties of (3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
(3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72922502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).