2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide

C18H25N5O2 — CID 92551608

IUPAC2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide
SMILESCC(C)(N)C(=O)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1
InChIInChI=1S/C18H25N5O2/c1-18(2,19)17(25)21-14-5-9-22(10-6-14)16(24)12-23-8-4-13-3-7-20-11-15(13)23/h3-4,7-8,11,14H,5-6,9-10,12,19H2,1-2H3,(H,21,25)
InChIKeyBKBLRPIOTURMJO-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.88
Rot. Bonds4

About 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide

2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide (PubChem CID 92551608) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide
PubChem CID92551608
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide
SMILESCC(C)(N)C(=O)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1
InChIInChI=1S/C18H25N5O2/c1-18(2,19)17(25)21-14-5-9-22(10-6-14)16(24)12-23-8-4-13-3-7-20-11-15(13)23/h3-4,7-8,11,14H,5-6,9-10,12,19H2,1-2H3,(H,21,25)
InChIKeyBKBLRPIOTURMJO-UHFFFAOYSA-N
XLogP0.88
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-5-(diaminomethylideneamino)-N-[1-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperidin-4-yl]pentanamide
CID 162655342
3-[[1-(3-Methylbut-2-enyl)indol-3-yl]methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 10959141
2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)-acetamide
CID 9931726
2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)-acetamide
CID 10093417
2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)-acetamide
CID 44379112
N-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide
CID 72703690
1-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3,4-dimethyl-2H-pyrrol-5-one
CID 73672900
(2R,5R)-1-[2-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-oxoethyl]-N,N,5-trimethylpiperazine-2-carboxamide
CID 90232137
1-[[(2R,5R)-1-[2-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]pyrrolidin-2-one
CID 90232154
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-pyridin-3-yl-3-pyridinyl)acetamide
CID 118174229
US10377753, Example 441
CID 124176295
5-N-cyclopropyl-3-N-methyl-2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 126648438

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide (CID 92551608) is 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide is CC(C)(N)C(=O)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1.
What is the InChIKey of 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide?
The InChIKey is BKBLRPIOTURMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2,19)17(25)21-14-5-9-22(10-6-14)16(24)12-23-8-4-13-3-7-20-11-15(13)23/h3-4,7-8,11,14H,5-6,9-10,12,19H2,1-2H3,(H,21,25).
What are the key properties of 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide?
2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 92551608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).