6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide

C20H29N5O2 — CID 29024377

IUPAC6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide
SMILESCc1noc(C)c1CCCNC(=O)c1ccc(N2CC[C@@H](N(C)C)C2)nc1
InChIInChI=1S/C20H29N5O2/c1-14-18(15(2)27-23-14)6-5-10-21-20(26)16-7-8-19(22-12-16)25-11-9-17(13-25)24(3)4/h7-8,12,17H,5-6,9-11,13H2,1-4H3,(H,21,26)/t17-/m1/s1
InChIKeyPOPUVSRHKWHOBI-QGZVFWFLSA-N
MW371.49 g/mol
LogP2.19
Rot. Bonds7

About 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide

6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide (PubChem CID 29024377) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide
PubChem CID29024377
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide
SMILESCc1noc(C)c1CCCNC(=O)c1ccc(N2CC[C@@H](N(C)C)C2)nc1
InChIInChI=1S/C20H29N5O2/c1-14-18(15(2)27-23-14)6-5-10-21-20(26)16-7-8-19(22-12-16)25-11-9-17(13-25)24(3)4/h7-8,12,17H,5-6,9-11,13H2,1-4H3,(H,21,26)/t17-/m1/s1
InChIKeyPOPUVSRHKWHOBI-QGZVFWFLSA-N
XLogP2.19
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide (CID 29024377) is 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide is Cc1noc(C)c1CCCNC(=O)c1ccc(N2CC[C@@H](N(C)C)C2)nc1.
What is the InChIKey of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide?
The InChIKey is POPUVSRHKWHOBI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14-18(15(2)27-23-14)6-5-10-21-20(26)16-7-8-19(22-12-16)25-11-9-17(13-25)24(3)4/h7-8,12,17H,5-6,9-11,13H2,1-4H3,(H,21,26)/t17-/m1/s1.
What are the key properties of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide?
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 29024377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).