4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine

C22H32N4O — CID 57345910

IUPAC4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCc1ccnc(CCCCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1
InChIInChI=1S/C22H32N4O/c1-16-7-8-25-19(10-16)6-4-3-5-9-27-21-15-24-14-18(21)13-20-11-17(2)12-22(23)26-20/h7-8,10-12,18,21,24H,3-6,9,13-15H2,1-2H3,(H2,23,26)/t18-,21+/m1/s1
InChIKeyZWYPXJQSZOXLSP-NQIIRXRSSA-N
MW368.53 g/mol
LogP3.24
Rot. Bonds9

About 4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine

4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 57345910) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID57345910
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCc1ccnc(CCCCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1
InChIInChI=1S/C22H32N4O/c1-16-7-8-25-19(10-16)6-4-3-5-9-27-21-15-24-14-18(21)13-20-11-17(2)12-22(23)26-20/h7-8,10-12,18,21,24H,3-6,9,13-15H2,1-2H3,(H2,23,26)/t18-,21+/m1/s1
InChIKeyZWYPXJQSZOXLSP-NQIIRXRSSA-N
XLogP3.24
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 57345910) is 4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine is Cc1ccnc(CCCCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1.
What is the InChIKey of 4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is ZWYPXJQSZOXLSP-NQIIRXRSSA-N. The full InChI is InChI=1S/C22H32N4O/c1-16-7-8-25-19(10-16)6-4-3-5-9-27-21-15-24-14-18(21)13-20-11-17(2)12-22(23)26-20/h7-8,10-12,18,21,24H,3-6,9,13-15H2,1-2H3,(H2,23,26)/t18-,21+/m1/s1.
What are the key properties of 4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine?
4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 368.53 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[(3R,4R)-4-[5-(4-methyl-2-pyridinyl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 57345910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).