N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide

C16H24N4O — CID 66411037

IUPACN-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
SMILESCCNC(=O)CCn1cc(CNC(C)C)c2cccnc21
InChIInChI=1S/C16H24N4O/c1-4-17-15(21)7-9-20-11-13(10-19-12(2)3)14-6-5-8-18-16(14)20/h5-6,8,11-12,19H,4,7,9-10H2,1-3H3,(H,17,21)
InChIKeyAFSYFFAPWGNMCI-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.06
Rot. Bonds7

About N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide

N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide (PubChem CID 66411037) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
PubChem CID66411037
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
SMILESCCNC(=O)CCn1cc(CNC(C)C)c2cccnc21
InChIInChI=1S/C16H24N4O/c1-4-17-15(21)7-9-20-11-13(10-19-12(2)3)14-6-5-8-18-16(14)20/h5-6,8,11-12,19H,4,7,9-10H2,1-3H3,(H,17,21)
InChIKeyAFSYFFAPWGNMCI-UHFFFAOYSA-N
XLogP2.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
CID 66412207
N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
CID 66410846
N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 66407991
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide
CID 66414520
3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66412968
2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-propan-2-ylacetamide
CID 53144495
N-[(1-octylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66411018
N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide
CID 66401524
N-[[1-(2-pyrazol-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66412190
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
CID 53145138
N-[[1-[(5-chlorothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
CID 66412020
N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
CID 66411630

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The IUPAC name of N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide (CID 66411037) is N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The canonical SMILES for N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide is CCNC(=O)CCn1cc(CNC(C)C)c2cccnc21.
What is the InChIKey of N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The InChIKey is AFSYFFAPWGNMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-17-15(21)7-9-20-11-13(10-19-12(2)3)14-6-5-8-18-16(14)20/h5-6,8,11-12,19H,4,7,9-10H2,1-3H3,(H,17,21).
What are the key properties of N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide?
N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide has a molecular weight of 288.40 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide is sourced from PubChem (CID 66411037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).