6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide

C30H39FN8O2 — CID 46917396

IUPAC6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)c(F)c2)ccc1C(=O)NCCN1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C30H39FN8O2/c1-4-33-28-23(29(40)34-11-12-39-17-19(2)13-20(3)18-39)7-9-25(37-28)22-6-8-26(24(31)14-22)38-30(41)36-16-21-5-10-27(32)35-15-21/h5-10,14-15,19-20H,4,11-13,16-18H2,1-3H3,(H2,32,35)(H,33,37)(H,34,40)(H2,36,38,41)/t19-,20+
InChIKeyZMUXZBZKXKFIRN-BGYRXZFFSA-N
MW562.69 g/mol
LogP4.33
Rot. Bonds10

About 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide

6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide (PubChem CID 46917396) has the molecular formula C30H39FN8O2 and a molecular weight of 562.69 g/mol. Its IUPAC name is 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide
PubChem CID46917396
Molecular FormulaC30H39FN8O2
Molecular Weight562.69 g/mol
Exact Mass562.32
IUPAC Name6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)c(F)c2)ccc1C(=O)NCCN1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C30H39FN8O2/c1-4-33-28-23(29(40)34-11-12-39-17-19(2)13-20(3)18-39)7-9-25(37-28)22-6-8-26(24(31)14-22)38-30(41)36-16-21-5-10-27(32)35-15-21/h5-10,14-15,19-20H,4,11-13,16-18H2,1-3H3,(H2,32,35)(H,33,37)(H,34,40)(H2,36,38,41)/t19-,20+
InChIKeyZMUXZBZKXKFIRN-BGYRXZFFSA-N
XLogP4.33
TPSA137.30 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.69
LogP ≤ 54.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide (CID 46917396) is 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide is CCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)c(F)c2)ccc1C(=O)NCCN1C[C@H](C)C[C@H](C)C1.
What is the InChIKey of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide?
The InChIKey is ZMUXZBZKXKFIRN-BGYRXZFFSA-N. The full InChI is InChI=1S/C30H39FN8O2/c1-4-33-28-23(29(40)34-11-12-39-17-19(2)13-20(3)18-39)7-9-25(37-28)22-6-8-26(24(31)14-22)38-30(41)36-16-21-5-10-27(32)35-15-21/h5-10,14-15,19-20H,4,11-13,16-18H2,1-3H3,(H2,32,35)(H,33,37)(H,34,40)(H2,36,38,41)/t19-,20+.
What are the key properties of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide?
6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide has a molecular weight of 562.69 g/mol, XLogP of 4.33, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 46917396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).