N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide

C26H26ClN5O2 — CID 126501515

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C26H26ClN5O2/c1-15-18(4-5-23(28)32-15)13-31-25(33)17-6-7-29-21(12-17)9-16-8-19-11-20(27)14-30-24(19)22(10-16)26(2,3)34/h4-8,10-12,14,34H,9,13H2,1-3H3,(H2,28,32)(H,31,33)
InChIKeyUKAZGEKVALJKKV-UHFFFAOYSA-N
MW475.98 g/mol
LogP4.32
Rot. Bonds6

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide (PubChem CID 126501515) has the molecular formula C26H26ClN5O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide
PubChem CID126501515
Molecular FormulaC26H26ClN5O2
Molecular Weight475.98 g/mol
Exact Mass475.18
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C26H26ClN5O2/c1-15-18(4-5-23(28)32-15)13-31-25(33)17-6-7-29-21(12-17)9-16-8-19-11-20(27)14-30-24(19)22(10-16)26(2,3)34/h4-8,10-12,14,34H,9,13H2,1-3H3,(H2,28,32)(H,31,33)
InChIKeyUKAZGEKVALJKKV-UHFFFAOYSA-N
XLogP4.32
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide (CID 126501515) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide is Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide?
The InChIKey is UKAZGEKVALJKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2/c1-15-18(4-5-23(28)32-15)13-31-25(33)17-6-7-29-21(12-17)9-16-8-19-11-20(27)14-30-24(19)22(10-16)26(2,3)34/h4-8,10-12,14,34H,9,13H2,1-3H3,(H2,28,32)(H,31,33).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide has a molecular weight of 475.98 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 126501515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).