N-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide

C16H25N3O2 — CID 106974962

IUPACN-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2cccnc2OC(C)C)CCCN1
InChIInChI=1S/C16H25N3O2/c1-4-8-16(9-6-11-18-16)15(20)19-13-7-5-10-17-14(13)21-12(2)3/h5,7,10,12,18H,4,6,8-9,11H2,1-3H3,(H,19,20)
InChIKeySPMSYWWZTSKHLW-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.73
Rot. Bonds6

About N-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide

N-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974962) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106974962
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2cccnc2OC(C)C)CCCN1
InChIInChI=1S/C16H25N3O2/c1-4-8-16(9-6-11-18-16)15(20)19-13-7-5-10-17-14(13)21-12(2)3/h5,7,10,12,18H,4,6,8-9,11H2,1-3H3,(H,19,20)
InChIKeySPMSYWWZTSKHLW-UHFFFAOYSA-N
XLogP2.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide (CID 106974962) is N-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2cccnc2OC(C)C)CCCN1.
What is the InChIKey of N-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is SPMSYWWZTSKHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-8-16(9-6-11-18-16)15(20)19-13-7-5-10-17-14(13)21-12(2)3/h5,7,10,12,18H,4,6,8-9,11H2,1-3H3,(H,19,20).
What are the key properties of N-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide?
N-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).