6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide

C51H40N10O4 — CID 166829630

IUPAC6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide
SMILESCc1cc(Nc2ccc(C(=O)Nc3ccc(Oc4ccnc(Cc5ccc6c(Nc7ccc(C(=O)Nc8ccc(Oc9ccncc9)cc8)cc7)c(C)cnc6c5)c4)nc3)cn2)ccn1
InChIInChI=1S/C51H40N10O4/c1-32-29-55-46-27-34(3-14-45(46)49(32)59-37-7-4-35(5-8-37)50(62)60-38-9-12-42(13-10-38)64-43-18-21-52-22-19-43)26-41-28-44(20-24-54-41)65-48-16-11-40(31-57-48)61-51(63)36-6-15-47(56-30-36)58-39-17-23-53-33(2)25-39/h3-25,27-31H,26H2,1-2H3,(H,55,59)(H,60,62)(H,61,63)(H,53,56,58)
InChIKeySOQRAHRVNJVYOW-UHFFFAOYSA-N
MW856.95 g/mol
LogP10.99
Rot. Bonds14

About 6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide

6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 166829630) has the molecular formula C51H40N10O4 and a molecular weight of 856.95 g/mol. Its IUPAC name is 6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide
PubChem CID166829630
Molecular FormulaC51H40N10O4
Molecular Weight856.95 g/mol
Exact Mass856.32
IUPAC Name6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide
SMILESCc1cc(Nc2ccc(C(=O)Nc3ccc(Oc4ccnc(Cc5ccc6c(Nc7ccc(C(=O)Nc8ccc(Oc9ccncc9)cc8)cc7)c(C)cnc6c5)c4)nc3)cn2)ccn1
InChIInChI=1S/C51H40N10O4/c1-32-29-55-46-27-34(3-14-45(46)49(32)59-37-7-4-35(5-8-37)50(62)60-38-9-12-42(13-10-38)64-43-18-21-52-22-19-43)26-41-28-44(20-24-54-41)65-48-16-11-40(31-57-48)61-51(63)36-6-15-47(56-30-36)58-39-17-23-53-33(2)25-39/h3-25,27-31H,26H2,1-2H3,(H,55,59)(H,60,62)(H,61,63)(H,53,56,58)
InChIKeySOQRAHRVNJVYOW-UHFFFAOYSA-N
XLogP10.99
TPSA178.06 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500856.95
LogP ≤ 510.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide (CID 166829630) is 6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide is Cc1cc(Nc2ccc(C(=O)Nc3ccc(Oc4ccnc(Cc5ccc6c(Nc7ccc(C(=O)Nc8ccc(Oc9ccncc9)cc8)cc7)c(C)cnc6c5)c4)nc3)cn2)ccn1.
What is the InChIKey of 6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is SOQRAHRVNJVYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N10O4/c1-32-29-55-46-27-34(3-14-45(46)49(32)59-37-7-4-35(5-8-37)50(62)60-38-9-12-42(13-10-38)64-43-18-21-52-22-19-43)26-41-28-44(20-24-54-41)65-48-16-11-40(31-57-48)61-51(63)36-6-15-47(56-30-36)58-39-17-23-53-33(2)25-39/h3-25,27-31H,26H2,1-2H3,(H,55,59)(H,60,62)(H,61,63)(H,53,56,58).
What are the key properties of 6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide?
6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 856.95 g/mol, XLogP of 10.99, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-4-pyridinyl)amino]-N-[6-[[2-[[3-methyl-4-[4-[(4-pyridin-4-yloxyphenyl)carbamoyl]anilino]quinolin-7-yl]methyl]-4-pyridinyl]oxy]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 166829630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).