N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide

C40H44Cl2N6O3 — CID 170046311

IUPACN-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
SMILESC[C@@H]1CCCCN1Cc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc5c(cn4)CN(C[C@@H](C)O)CC5)c3Cl)c2Cl)cc1C1CC1
InChIInChI=1S/C40H44Cl2N6O3/c1-24-7-3-4-15-48(24)23-29-20-44-36(18-32(29)26-12-13-26)40(51)46-34-11-6-9-31(38(34)42)30-8-5-10-33(37(30)41)45-39(50)35-17-27-14-16-47(21-25(2)49)22-28(27)19-43-35/h5-6,8-11,17-20,24-26,49H,3-4,7,12-16,21-23H2,1-2H3,(H,45,50)(H,46,51)/t24-,25-/m1/s1
InChIKeyZWLHPDVEYNMBCP-JWQCQUIFSA-N
MW727.74 g/mol
LogP7.95
Rot. Bonds10

About N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide

N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (PubChem CID 170046311) has the molecular formula C40H44Cl2N6O3 and a molecular weight of 727.74 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
PubChem CID170046311
Molecular FormulaC40H44Cl2N6O3
Molecular Weight727.74 g/mol
Exact Mass726.29
IUPAC NameN-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
SMILESC[C@@H]1CCCCN1Cc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc5c(cn4)CN(C[C@@H](C)O)CC5)c3Cl)c2Cl)cc1C1CC1
InChIInChI=1S/C40H44Cl2N6O3/c1-24-7-3-4-15-48(24)23-29-20-44-36(18-32(29)26-12-13-26)40(51)46-34-11-6-9-31(38(34)42)30-8-5-10-33(37(30)41)45-39(50)35-17-27-14-16-47(21-25(2)49)22-28(27)19-43-35/h5-6,8-11,17-20,24-26,49H,3-4,7,12-16,21-23H2,1-2H3,(H,45,50)(H,46,51)/t24-,25-/m1/s1
InChIKeyZWLHPDVEYNMBCP-JWQCQUIFSA-N
XLogP7.95
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.74
LogP ≤ 57.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (CID 170046311) is N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is C[C@@H]1CCCCN1Cc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc5c(cn4)CN(C[C@@H](C)O)CC5)c3Cl)c2Cl)cc1C1CC1.
What is the InChIKey of N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The InChIKey is ZWLHPDVEYNMBCP-JWQCQUIFSA-N. The full InChI is InChI=1S/C40H44Cl2N6O3/c1-24-7-3-4-15-48(24)23-29-20-44-36(18-32(29)26-12-13-26)40(51)46-34-11-6-9-31(38(34)42)30-8-5-10-33(37(30)41)45-39(50)35-17-27-14-16-47(21-25(2)49)22-28(27)19-43-35/h5-6,8-11,17-20,24-26,49H,3-4,7,12-16,21-23H2,1-2H3,(H,45,50)(H,46,51)/t24-,25-/m1/s1.
What are the key properties of N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide has a molecular weight of 727.74 g/mol, XLogP of 7.95, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 170046311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).