N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide

C19H21N5O — CID 155946909

IUPACN-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C19H21N5O/c1-20-19(25)15-5-3-9-22-18(15)24-10-6-13(7-11-24)16-12-23-17-14(16)4-2-8-21-17/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,20,25)(H,21,23)
InChIKeyGYBFZRKQFXSLNW-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.70
Rot. Bonds3

About N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide

N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 155946909) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID155946909
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C19H21N5O/c1-20-19(25)15-5-3-9-22-18(15)24-10-6-13(7-11-24)16-12-23-17-14(16)4-2-8-21-17/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,20,25)(H,21,23)
InChIKeyGYBFZRKQFXSLNW-UHFFFAOYSA-N
XLogP2.70
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 155948642
N-methyl-2-(4-pyridin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 155950461
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133283992
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine
CID 121426655
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
CID 136516251
N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 167880702
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-1-carbonyl fluoride
CID 89186227
(4-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749250
N-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 162749484
N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 166233118
(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 124731707

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide (CID 155946909) is N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is GYBFZRKQFXSLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-20-19(25)15-5-3-9-22-18(15)24-10-6-13(7-11-24)16-12-23-17-14(16)4-2-8-21-17/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,20,25)(H,21,23).
What are the key properties of N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide?
N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155946909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).