[2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone

C23H24F2N4O2 — CID 21054901

IUPAC[2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone
SMILESCCCCOc1cc(Nc2ccc(CN)cc2)nc(N)c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C23H24F2N4O2/c1-2-3-11-31-18-12-19(28-15-9-7-14(13-26)8-10-15)29-23(27)21(18)22(30)20-16(24)5-4-6-17(20)25/h4-10,12H,2-3,11,13,26H2,1H3,(H3,27,28,29)
InChIKeyGWSBZMATCPGOES-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.55
Rot. Bonds9

About [2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone

[2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone (PubChem CID 21054901) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is [2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone
PubChem CID21054901
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name[2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone
SMILESCCCCOc1cc(Nc2ccc(CN)cc2)nc(N)c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C23H24F2N4O2/c1-2-3-11-31-18-12-19(28-15-9-7-14(13-26)8-10-15)29-23(27)21(18)22(30)20-16(24)5-4-6-17(20)25/h4-10,12H,2-3,11,13,26H2,1H3,(H3,27,28,29)
InChIKeyGWSBZMATCPGOES-UHFFFAOYSA-N
XLogP4.55
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-Acyl-2,6-diaminopyridine deriv. 10
CID 5330846
3-Acyl-2,6-diaminopyridine deriv. 11
CID 5330847
3-Acyl-2,6-diaminopyridine deriv. 3f
CID 5330845
2-Anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one
CID 10159436
2-Anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 10294808
1-[6-Amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]-3-phenylurea
CID 11166571
1-[6-Amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]-3-phenylthiourea
CID 11317028
N-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide
CID 11407631
[2-Amino-6-(1-methyl-piperidin-4-ylamino)-pyridin-3-yl]-(5-fluoro-2-methoxy-phenyl)-methanone
CID 11501336
[2-Amino-6-(1-benzyl-piperidin-4-ylamino)-pyridin-3-yl]-(5-fluoro-2-methoxy-phenyl)-methanone
CID 11704736
[2-Amino-4-butoxy-6-[4-[(dimethylamino)methyl]anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone
CID 21054900
tert-butyl N-[4-butoxy-3-(2,6-difluorobenzoyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamate
CID 21054907

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone (CID 21054901) is [2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone is CCCCOc1cc(Nc2ccc(CN)cc2)nc(N)c1C(=O)c1c(F)cccc1F.
What is the InChIKey of [2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The InChIKey is GWSBZMATCPGOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-2-3-11-31-18-12-19(28-15-9-7-14(13-26)8-10-15)29-23(27)21(18)22(30)20-16(24)5-4-6-17(20)25/h4-10,12H,2-3,11,13,26H2,1H3,(H3,27,28,29).
What are the key properties of [2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone?
[2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone has a molecular weight of 426.47 g/mol, XLogP of 4.55, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[4-(aminomethyl)anilino]-4-butoxy-3-pyridinyl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 21054901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).