N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate

C51H54Cl2N12O4 — CID 159466945

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate (PubChem CID 159466945) has the molecular formula C51H54Cl2N12O4 and a molecular weight of 969.98 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
• PubChem CID: 159466945
• Molecular Formula: C51H54Cl2N12O4
• Molecular Weight: 969.98 g/mol
• Exact Mass: 968.38
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C
• InChI: InChI=1S/C28H31ClN6O3.C23H23ClN6O/c1-16-9-25(33-27(37)38-28(4,5)6)32-17(2)22(16)13-31-26(36)23-15-35(34-18(23)3)14-19-7-8-24-20(10-19)11-21(29)12-30-24;1-13-6-22(25)28-14(2)19(13)10-27-23(31)20-12-30(29-15(20)3)11-16-4-5-21-17(7-16)8-18(24)9-26-21/h7-12,15H,13-14H2,1-6H3,(H,31,36)(H,32,33,37);4-9,12H,10-11H2,1-3H3,(H2,25,28)(H,27,31)
• InChIKey: LVHQCOFQIHUUSA-UHFFFAOYSA-N
• XLogP: 9.70
• TPSA: 209.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	969.98
LogP ≤ 5	9.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate (CID 159466945) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate?

The InChIKey is LVHQCOFQIHUUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN6O3.C23H23ClN6O/c1-16-9-25(33-27(37)38-28(4,5)6)32-17(2)22(16)13-31-26(36)23-15-35(34-18(23)3)14-19-7-8-24-20(10-19)11-21(29)12-30-24;1-13-6-22(25)28-14(2)19(13)10-27-23(31)20-12-30(29-15(20)3)11-16-4-5-21-17(7-16)8-18(24)9-26-21/h7-12,15H,13-14H2,1-6H3,(H,31,36)(H,32,33,37);4-9,12H,10-11H2,1-3H3,(H2,25,28)(H,27,31).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate has a molecular weight of 969.98 g/mol, XLogP of 9.70, 11 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate is sourced from PubChem (CID 159466945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).