N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide

C22H26ClN5O2 — CID 66830733

IUPACN-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)c2cccnc2)ccc1OCC(N)C(C)(C)C
InChIInChI=1S/C22H26ClN5O2/c1-22(2,3)19(24)13-30-18-8-7-15(27-21(29)14-6-5-9-25-11-14)10-16(18)20-17(23)12-26-28(20)4/h5-12,19H,13,24H2,1-4H3,(H,27,29)
InChIKeyFGYAZDIZEZZQIA-UHFFFAOYSA-N
MW427.94 g/mol
LogP4.14
Rot. Bonds6

About N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide

N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide (PubChem CID 66830733) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide
PubChem CID66830733
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC NameN-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)c2cccnc2)ccc1OCC(N)C(C)(C)C
InChIInChI=1S/C22H26ClN5O2/c1-22(2,3)19(24)13-30-18-8-7-15(27-21(29)14-6-5-9-25-11-14)10-16(18)20-17(23)12-26-28(20)4/h5-12,19H,13,24H2,1-4H3,(H,27,29)
InChIKeyFGYAZDIZEZZQIA-UHFFFAOYSA-N
XLogP4.14
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
CID 66927790
(2E)-N-[4-[(2S)-2-aminopropoxy]-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-2-prop-1-en-2-yloxyiminopropanamide
CID 143584154
N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 67265638
N-[4-[(2S)-2-amino-2-cyclohexylethoxy]-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 24890277
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-(1-methylindazol-6-yl)pyridine-3-carboxamide
CID 110461644
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide
CID 66928508
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 66927775
4-[2-[2-(4-chloro-1-methylpyrazol-5-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]ethyl]piperazine-1-carboxylic acid;N-methylmethanamine
CID 69492655
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 66927919
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 66927767
N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-3-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67265916

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide (CID 66830733) is N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide is Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccnc2)ccc1OCC(N)C(C)(C)C.
What is the InChIKey of N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is FGYAZDIZEZZQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-22(2,3)19(24)13-30-18-8-7-15(27-21(29)14-6-5-9-25-11-14)10-16(18)20-17(23)12-26-28(20)4/h5-12,19H,13,24H2,1-4H3,(H,27,29).
What are the key properties of N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide?
N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66830733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).