N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide

C15H15BrN4O — CID 124573736

IUPACN-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccccc2Br)C1)c1ccnnc1
InChIInChI=1S/C15H15BrN4O/c16-13-3-1-2-4-14(13)20-8-6-12(10-20)19-15(21)11-5-7-17-18-9-11/h1-5,7,9,12H,6,8,10H2,(H,19,21)/t12-/m0/s1
InChIKeyMZUKWHRVZGCNKU-LBPRGKRZSA-N
MW347.22 g/mol
LogP2.25
Rot. Bonds3

About N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide

N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide (PubChem CID 124573736) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide
PubChem CID124573736
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC NameN-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccccc2Br)C1)c1ccnnc1
InChIInChI=1S/C15H15BrN4O/c16-13-3-1-2-4-14(13)20-8-6-12(10-20)19-15(21)11-5-7-17-18-9-11/h1-5,7,9,12H,6,8,10H2,(H,19,21)/t12-/m0/s1
InChIKeyMZUKWHRVZGCNKU-LBPRGKRZSA-N
XLogP2.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 95620420
1-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 96523423
3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide
CID 120503919
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119884373
N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide
CID 172901933
2-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004212
6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339327
trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 124700001
2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
CID 120670298
N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119884405
(2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119884424
2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99696788

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide?
The IUPAC name of N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide (CID 124573736) is N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide is O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1ccnnc1.
What is the InChIKey of N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide?
The InChIKey is MZUKWHRVZGCNKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15BrN4O/c16-13-3-1-2-4-14(13)20-8-6-12(10-20)19-15(21)11-5-7-17-18-9-11/h1-5,7,9,12H,6,8,10H2,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide?
N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide has a molecular weight of 347.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 124573736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).