N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C17H23N5O2 — CID 167876966

IUPACN-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCN(C)CC(=O)N1CCCC1CNC(=O)c1cc2cnccc2[nH]1
InChIInChI=1S/C17H23N5O2/c1-21(2)11-16(23)22-7-3-4-13(22)10-19-17(24)15-8-12-9-18-6-5-14(12)20-15/h5-6,8-9,13,20H,3-4,7,10-11H2,1-2H3,(H,19,24)
InChIKeyUGZFFJXGDHGHFT-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.85
Rot. Bonds5

About N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 167876966) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID167876966
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCN(C)CC(=O)N1CCCC1CNC(=O)c1cc2cnccc2[nH]1
InChIInChI=1S/C17H23N5O2/c1-21(2)11-16(23)22-7-3-4-13(22)10-19-17(24)15-8-12-9-18-6-5-14(12)20-15/h5-6,8-9,13,20H,3-4,7,10-11H2,1-2H3,(H,19,24)
InChIKeyUGZFFJXGDHGHFT-UHFFFAOYSA-N
XLogP0.85
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 155027416
N-[[6-[4-[(dimethylamino)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90011963
4-[4-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)butyl]piperidine-1-carboxylic acid
CID 90374114
N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90013339
N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 166394490
2,2-dimethylpropyl 2-[(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 130290365
N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 126510184
N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 71010276
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 97496283
N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90012764
N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 118005466
N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166287482

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 167876966) is N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CN(C)CC(=O)N1CCCC1CNC(=O)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is UGZFFJXGDHGHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21(2)11-16(23)22-7-3-4-13(22)10-19-17(24)15-8-12-9-18-6-5-14(12)20-15/h5-6,8-9,13,20H,3-4,7,10-11H2,1-2H3,(H,19,24).
What are the key properties of N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 167876966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).