4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine

C24H37N5O3 — CID 145385453

IUPAC4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine
SMILESCCN(CC)CCCOc1cc(Nc2ccnc(CNC3CCOCC3)c2)ncc1OC
InChIInChI=1S/C24H37N5O3/c1-4-29(5-2)11-6-12-32-22-16-24(27-18-23(22)30-3)28-20-7-10-25-21(15-20)17-26-19-8-13-31-14-9-19/h7,10,15-16,18-19,26H,4-6,8-9,11-14,17H2,1-3H3,(H,25,27,28)
InChIKeyHNJHSUQGTFXTQH-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.61
Rot. Bonds13

About 4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine

4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine (PubChem CID 145385453) has the molecular formula C24H37N5O3 and a molecular weight of 443.59 g/mol. Its IUPAC name is 4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine
PubChem CID145385453
Molecular FormulaC24H37N5O3
Molecular Weight443.59 g/mol
Exact Mass443.29
IUPAC Name4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine
SMILESCCN(CC)CCCOc1cc(Nc2ccnc(CNC3CCOCC3)c2)ncc1OC
InChIInChI=1S/C24H37N5O3/c1-4-29(5-2)11-6-12-32-22-16-24(27-18-23(22)30-3)28-20-7-10-25-21(15-20)17-26-19-8-13-31-14-9-19/h7,10,15-16,18-19,26H,4-6,8-9,11-14,17H2,1-3H3,(H,25,27,28)
InChIKeyHNJHSUQGTFXTQH-UHFFFAOYSA-N
XLogP3.61
TPSA80.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine?
The IUPAC name of 4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine (CID 145385453) is 4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine?
The canonical SMILES for 4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine is CCN(CC)CCCOc1cc(Nc2ccnc(CNC3CCOCC3)c2)ncc1OC.
What is the InChIKey of 4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine?
The InChIKey is HNJHSUQGTFXTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O3/c1-4-29(5-2)11-6-12-32-22-16-24(27-18-23(22)30-3)28-20-7-10-25-21(15-20)17-26-19-8-13-31-14-9-19/h7,10,15-16,18-19,26H,4-6,8-9,11-14,17H2,1-3H3,(H,25,27,28).
What are the key properties of 4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine?
4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine has a molecular weight of 443.59 g/mol, XLogP of 3.61, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propoxy]-5-methoxy-N-[2-[(oxan-4-ylamino)methyl]-4-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 145385453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).