N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide

C14H20N4O — CID 176950346

IUPACN-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide
SMILESCCCn1c(CN(C)N(C)C=O)cc2cccnc21
InChIInChI=1S/C14H20N4O/c1-4-8-18-13(10-16(2)17(3)11-19)9-12-6-5-7-15-14(12)18/h5-7,9,11H,4,8,10H2,1-3H3
InChIKeyKYYFKPNYCMOUCU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.88
Rot. Bonds6

About N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide

N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide (PubChem CID 176950346) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide.

Molecular Properties

Compound NameN-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide
PubChem CID176950346
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide
SMILESCCCn1c(CN(C)N(C)C=O)cc2cccnc21
InChIInChI=1S/C14H20N4O/c1-4-8-18-13(10-16(2)17(3)11-19)9-12-6-5-7-15-14(12)18/h5-7,9,11H,4,8,10H2,1-3H3
InChIKeyKYYFKPNYCMOUCU-UHFFFAOYSA-N
XLogP1.88
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one
CID 139602502
2-butyl-1-methylpyrrolo[2,3-b]pyridine
CID 142666149
2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde
CID 117223862
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
2-ethyl-4-methyl-1-propylpyrrolo[2,3-b]pyridine
CID 145149544
5-[2-[2-[3-[(1-ethoxy-1-oxopropan-2-yl)-methylamino]-3-oxopropoxy]ethoxy]ethylamino]-4-[3-[2-[[methyl(methylamino)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]propanoylamino]-5-oxopentanoic acid
CID 175745629
7-phenyl-6-propyl-1,6-naphthyridin-5-one
CID 15720869
4-phenyl-1-propyl-1,8-naphthyridin-2-one
CID 18969191
4-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18733180
3-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[3-[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]pyrrolo[2,3-b]pyridin-1-yl]propanoyl]piperidin-4-yl]amino]ethoxy]ethoxy]propanoic acid
CID 162502768
1-methylpyrrolo[2,3-b]pyridine;propane
CID 144881648
4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde
CID 139636127

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide?
The IUPAC name of N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide (CID 176950346) is N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide.
What is the SMILES notation for N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide?
The canonical SMILES for N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide is CCCn1c(CN(C)N(C)C=O)cc2cccnc21.
What is the InChIKey of N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide?
The InChIKey is KYYFKPNYCMOUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-8-18-13(10-16(2)17(3)11-19)9-12-6-5-7-15-14(12)18/h5-7,9,11H,4,8,10H2,1-3H3.
What are the key properties of N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide?
N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide has a molecular weight of 260.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide is sourced from PubChem (CID 176950346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).