4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide

C13H16N4O — CID 54943729

IUPAC4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCCc1ccncc1
InChIInChI=1S/C13H16N4O/c1-17-9-11(14)8-12(17)13(18)16-7-4-10-2-5-15-6-3-10/h2-3,5-6,8-9H,4,7,14H2,1H3,(H,16,18)
InChIKeyRTTJYISLROKGEG-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.97
Rot. Bonds4

About 4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide

4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide (PubChem CID 54943729) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide
PubChem CID54943729
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCCc1ccncc1
InChIInChI=1S/C13H16N4O/c1-17-9-11(14)8-12(17)13(18)16-7-4-10-2-5-15-6-3-10/h2-3,5-6,8-9H,4,7,14H2,1H3,(H,16,18)
InChIKeyRTTJYISLROKGEG-UHFFFAOYSA-N
XLogP0.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
CID 61104259
4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 114138973
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 43665875
4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 139950289
4-amino-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 85397824
5-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 115330468
4-amino-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 63304317
4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61236398
4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 106118881

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide (CID 54943729) is 4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)NCCc1ccncc1.
What is the InChIKey of 4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide?
The InChIKey is RTTJYISLROKGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-9-11(14)8-12(17)13(18)16-7-4-10-2-5-15-6-3-10/h2-3,5-6,8-9H,4,7,14H2,1H3,(H,16,18).
What are the key properties of 4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide?
4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 54943729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).