6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide

C18H21ClN4O2 — CID 57125891

IUPAC6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide
SMILESCC(NCc1cc(Cl)ccc1OCC1CC1)c1ccc(C(N)=O)nn1
InChIInChI=1S/C18H21ClN4O2/c1-11(15-5-6-16(18(20)24)23-22-15)21-9-13-8-14(19)4-7-17(13)25-10-12-2-3-12/h4-8,11-12,21H,2-3,9-10H2,1H3,(H2,20,24)
InChIKeyXYUQYFVBWBOWHU-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.87
Rot. Bonds8

About 6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide

6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide (PubChem CID 57125891) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide
PubChem CID57125891
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide
SMILESCC(NCc1cc(Cl)ccc1OCC1CC1)c1ccc(C(N)=O)nn1
InChIInChI=1S/C18H21ClN4O2/c1-11(15-5-6-16(18(20)24)23-22-15)21-9-13-8-14(19)4-7-17(13)25-10-12-2-3-12/h4-8,11-12,21H,2-3,9-10H2,1H3,(H2,20,24)
InChIKeyXYUQYFVBWBOWHU-UHFFFAOYSA-N
XLogP2.87
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 117354157
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine;hydrochloride
CID 171620502
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929
O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117356424
[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride
CID 117475696
5-chloro-2-(piperidin-4-ylmethoxy)benzamide
CID 62493382
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
2-(azetidin-3-ylmethoxy)-5-chlorobenzamide
CID 71133700
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide
CID 63056878

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide (CID 57125891) is 6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide is CC(NCc1cc(Cl)ccc1OCC1CC1)c1ccc(C(N)=O)nn1.
What is the InChIKey of 6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide?
The InChIKey is XYUQYFVBWBOWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-11(15-5-6-16(18(20)24)23-22-15)21-9-13-8-14(19)4-7-17(13)25-10-12-2-3-12/h4-8,11-12,21H,2-3,9-10H2,1H3,(H2,20,24).
What are the key properties of 6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide?
6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 57125891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).