N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine

C17H25N5O — CID 143180996

IUPACN'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine
SMILESCOc1ccc2nccc(N3CCC(NCCCCN)C3)c2n1
InChIInChI=1S/C17H25N5O/c1-23-16-5-4-14-17(21-16)15(6-10-20-14)22-11-7-13(12-22)19-9-3-2-8-18/h4-6,10,13,19H,2-3,7-9,11-12,18H2,1H3
InChIKeyVHNWZZPONVTUSM-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.55
Rot. Bonds7

About N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine

N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine (PubChem CID 143180996) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine
PubChem CID143180996
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine
SMILESCOc1ccc2nccc(N3CCC(NCCCCN)C3)c2n1
InChIInChI=1S/C17H25N5O/c1-23-16-5-4-14-17(21-16)15(6-10-20-14)22-11-7-13(12-22)19-9-3-2-8-18/h4-6,10,13,19H,2-3,7-9,11-12,18H2,1H3
InChIKeyVHNWZZPONVTUSM-UHFFFAOYSA-N
XLogP1.55
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
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 N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine?
The IUPAC name of N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine (CID 143180996) is N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine.
What is the SMILES notation for N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine?
The canonical SMILES for N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine is COc1ccc2nccc(N3CCC(NCCCCN)C3)c2n1.
What is the InChIKey of N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine?
The InChIKey is VHNWZZPONVTUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-23-16-5-4-14-17(21-16)15(6-10-20-14)22-11-7-13(12-22)19-9-3-2-8-18/h4-6,10,13,19H,2-3,7-9,11-12,18H2,1H3.
What are the key properties of N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine?
N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine has a molecular weight of 315.42 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine is sourced from PubChem (CID 143180996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).