6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

C28H35FN6O — CID 142557613

IUPAC6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(Nc2ccc3c(c2)CCC(N(C)C)C3)cc1Nc1cccc(C(C)(C)F)n1
InChIInChI=1S/C28H35FN6O/c1-6-30-27(36)22-17-31-26(16-23(22)33-25-9-7-8-24(34-25)28(2,3)29)32-20-12-10-19-15-21(35(4)5)13-11-18(19)14-20/h7-10,12,14,16-17,21H,6,11,13,15H2,1-5H3,(H,30,36)(H2,31,32,33,34)
InChIKeyXUJCAEQKSVWOGY-UHFFFAOYSA-N
MW490.63 g/mol
LogP5.34
Rot. Bonds8

About 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 142557613) has the molecular formula C28H35FN6O and a molecular weight of 490.63 g/mol. Its IUPAC name is 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID142557613
Molecular FormulaC28H35FN6O
Molecular Weight490.63 g/mol
Exact Mass490.29
IUPAC Name6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(Nc2ccc3c(c2)CCC(N(C)C)C3)cc1Nc1cccc(C(C)(C)F)n1
InChIInChI=1S/C28H35FN6O/c1-6-30-27(36)22-17-31-26(16-23(22)33-25-9-7-8-24(34-25)28(2,3)29)32-20-12-10-19-15-21(35(4)5)13-11-18(19)14-20/h7-10,12,14,16-17,21H,6,11,13,15H2,1-5H3,(H,30,36)(H2,31,32,33,34)
InChIKeyXUJCAEQKSVWOGY-UHFFFAOYSA-N
XLogP5.34
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 142557613) is 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is CCNC(=O)c1cnc(Nc2ccc3c(c2)CCC(N(C)C)C3)cc1Nc1cccc(C(C)(C)F)n1.
What is the InChIKey of 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is XUJCAEQKSVWOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN6O/c1-6-30-27(36)22-17-31-26(16-23(22)33-25-9-7-8-24(34-25)28(2,3)29)32-20-12-10-19-15-21(35(4)5)13-11-18(19)14-20/h7-10,12,14,16-17,21H,6,11,13,15H2,1-5H3,(H,30,36)(H2,31,32,33,34).
What are the key properties of 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 5.34, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 142557613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).