6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide

C19H24N4O2 — CID 51115025

IUPAC6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)cn1
InChIInChI=1S/C19H24N4O2/c1-14(2)25-18-6-5-16(13-21-18)19(24)22-12-15-7-8-20-17(11-15)23-9-3-4-10-23/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H,22,24)
InChIKeyAODQICFSRGWSHL-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.79
Rot. Bonds6

About 6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide

6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 51115025) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID51115025
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)cn1
InChIInChI=1S/C19H24N4O2/c1-14(2)25-18-6-5-16(13-21-18)19(24)22-12-15-7-8-20-17(11-15)23-9-3-4-10-23/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H,22,24)
InChIKeyAODQICFSRGWSHL-UHFFFAOYSA-N
XLogP2.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide (CID 51115025) is 6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)cn1.
What is the InChIKey of 6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is AODQICFSRGWSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(2)25-18-6-5-16(13-21-18)19(24)22-12-15-7-8-20-17(11-15)23-9-3-4-10-23/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H,22,24).
What are the key properties of 6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 51115025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).