5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide

C19H18ClN5O2 — CID 70960778

IUPAC5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide
SMILESC[C@H]1[C@@H](NC(=O)c2ccc(C(N)=O)nc2)CCN1c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C19H18ClN5O2/c1-11-16(24-19(27)13-3-5-17(18(22)26)23-10-13)6-7-25(11)14-4-2-12(9-21)15(20)8-14/h2-5,8,10-11,16H,6-7H2,1H3,(H2,22,26)(H,24,27)/t11-,16-/m0/s1
InChIKeyRFEUQZXHSOJNOS-ZBEGNZNMSA-N
MW383.84 g/mol
LogP2.10
Rot. Bonds4

About 5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide

5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide (PubChem CID 70960778) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide
PubChem CID70960778
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide
SMILESC[C@H]1[C@@H](NC(=O)c2ccc(C(N)=O)nc2)CCN1c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C19H18ClN5O2/c1-11-16(24-19(27)13-3-5-17(18(22)26)23-10-13)6-7-25(11)14-4-2-12(9-21)15(20)8-14/h2-5,8,10-11,16H,6-7H2,1H3,(H2,22,26)(H,24,27)/t11-,16-/m0/s1
InChIKeyRFEUQZXHSOJNOS-ZBEGNZNMSA-N
XLogP2.10
TPSA112.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide (CID 70960778) is 5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide is C[C@H]1[C@@H](NC(=O)c2ccc(C(N)=O)nc2)CCN1c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide?
The InChIKey is RFEUQZXHSOJNOS-ZBEGNZNMSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-11-16(24-19(27)13-3-5-17(18(22)26)23-10-13)6-7-25(11)14-4-2-12(9-21)15(20)8-14/h2-5,8,10-11,16H,6-7H2,1H3,(H2,22,26)(H,24,27)/t11-,16-/m0/s1.
What are the key properties of 5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide?
5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide has a molecular weight of 383.84 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 70960778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).