2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol

C10H15N3O — CID 170495435

IUPAC2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol
SMILESCNCCC=Cc1cnc(N)c(O)c1
InChIInChI=1S/C10H15N3O/c1-12-5-3-2-4-8-6-9(14)10(11)13-7-8/h2,4,6-7,12,14H,3,5H2,1H3,(H2,11,13)
InChIKeyBLDMMVBQHOZNIJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.99
Rot. Bonds4

About 2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol

2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol (PubChem CID 170495435) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol.

Molecular Properties

Compound Name2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol
PubChem CID170495435
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol
SMILESCNCCC=Cc1cnc(N)c(O)c1
InChIInChI=1S/C10H15N3O/c1-12-5-3-2-4-8-6-9(14)10(11)13-7-8/h2,4,6-7,12,14H,3,5H2,1H3,(H2,11,13)
InChIKeyBLDMMVBQHOZNIJ-UHFFFAOYSA-N
XLogP0.99
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine
CID 170495291
2-[4-(methylamino)but-1-enyl]pyrimidin-5-ol
CID 170495243
2-chloro-5-[4-(methylamino)but-1-enyl]pyridine-3-carboxylic acid
CID 170496138
4-[(Z)-4-(methylamino)but-1-enyl]phenol
CID 117268085
N-methyl-4-(6-methyl-3-pyridinyl)but-3-en-1-amine
CID 54149645
5-[4-(methylamino)but-1-enyl]-1,2-benzoxazol-3-amine
CID 170495935
2-bromo-4-[4-(methylamino)but-1-enyl]phenol
CID 170496795
4-(2-chloro-4-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495263
4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476193
4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-N-methylbut-3-en-1-amine
CID 170496369
6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine
CID 170495405
N-methyl-4-(6-methyl-5-nitro-3-pyridinyl)but-3-en-1-amine
CID 170496101

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol?
The IUPAC name of 2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol (CID 170495435) is 2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol.
What is the SMILES notation for 2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol?
The canonical SMILES for 2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol is CNCCC=Cc1cnc(N)c(O)c1.
What is the InChIKey of 2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol?
The InChIKey is BLDMMVBQHOZNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-12-5-3-2-4-8-6-9(14)10(11)13-7-8/h2,4,6-7,12,14H,3,5H2,1H3,(H2,11,13).
What are the key properties of 2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol?
2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol has a molecular weight of 193.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol is sourced from PubChem (CID 170495435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).