N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide

C19H20N4O — CID 109239349

IUPACN-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(Nc2cccc3cccnc23)c1
InChIInChI=1S/C19H20N4O/c1-19(2,3)23-18(24)14-10-15(12-20-11-14)22-16-8-4-6-13-7-5-9-21-17(13)16/h4-12,22H,1-3H3,(H,23,24)
InChIKeyMSKAHEDYOJOQDQ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.90
Rot. Bonds3

About N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide

N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide (PubChem CID 109239349) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
PubChem CID109239349
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(Nc2cccc3cccnc23)c1
InChIInChI=1S/C19H20N4O/c1-19(2,3)23-18(24)14-10-15(12-20-11-14)22-16-8-4-6-13-7-5-9-21-17(13)16/h4-12,22H,1-3H3,(H,23,24)
InChIKeyMSKAHEDYOJOQDQ-UHFFFAOYSA-N
XLogP3.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 82535032
5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109244039
N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109242937
N-(2-ethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109243373
N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide
CID 109239269
5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109245897
N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109246222
N,N-dipropyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109240993
N-(furan-2-ylmethyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109231433
N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide
CID 109239372
N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109234803
N-[4-(quinolin-8-ylamino)phenyl]pyridine-3-carboxamide
CID 112989314

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide (CID 109239349) is N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cncc(Nc2cccc3cccnc23)c1.
What is the InChIKey of N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
The InChIKey is MSKAHEDYOJOQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-19(2,3)23-18(24)14-10-15(12-20-11-14)22-16-8-4-6-13-7-5-9-21-17(13)16/h4-12,22H,1-3H3,(H,23,24).
What are the key properties of N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109239349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).