4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide

C23H24FN7O2 — CID 146370747

IUPAC4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)nc3C)n2)ccn1
InChIInChI=1S/C23H24FN7O2/c1-14-17(3-4-20(24)30-14)18-9-16(13-29-23-26-7-8-27-23)10-19(31-18)22(32)28-12-15-5-6-25-21(11-15)33-2/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,28,32)(H2,26,27,29)
InChIKeyUFSZXLNXYHEOKQ-UHFFFAOYSA-N
MW449.49 g/mol
LogP1.97
Rot. Bonds7

About 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide

4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 146370747) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID146370747
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)nc3C)n2)ccn1
InChIInChI=1S/C23H24FN7O2/c1-14-17(3-4-20(24)30-14)18-9-16(13-29-23-26-7-8-27-23)10-19(31-18)22(32)28-12-15-5-6-25-21(11-15)33-2/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,28,32)(H2,26,27,29)
InChIKeyUFSZXLNXYHEOKQ-UHFFFAOYSA-N
XLogP1.97
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide (CID 146370747) is 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide is COc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)nc3C)n2)ccn1.
What is the InChIKey of 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is UFSZXLNXYHEOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-14-17(3-4-20(24)30-14)18-9-16(13-29-23-26-7-8-27-23)10-19(31-18)22(32)28-12-15-5-6-25-21(11-15)33-2/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,28,32)(H2,26,27,29).
What are the key properties of 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide?
4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 146370747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).